Scoparone
- Formula: C11H10O4
- Molecular weight: 206.1947
- IUPAC Standard InChI: InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
- IUPAC Standard InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N
- CAS Registry Number: 120-08-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 2H-1-Benzopyran-2-one, 6,7-dimethoxy-; Coumarin, 6,7-dimethoxy-; Aesculetin dimethyl ether; Escoparone; Esculetin dimethyl ether; Scoparon; 6,7-Dimethoxycoumarin; 6,7-Dimethylesculetin; Dimethyl esculetin; Benzopyran-2-one, 6,7-dimethoxy-; Esculetin 6,7-dimethyl ether; O,O-Dimethylesculetin; O-Methylisoscopoletin; O-Methylscopoletin; Scopoletin methyl ether; 6,7-Dimethoxy-2H-chromen-2-one; 6,7-dimethoxy-2-benzopyrone
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Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2018.2 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2028. | Orlita, Sidwa-Gorycka, et al., 2008 | Argon, 3. K/min; Tstart: 160. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1984. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Orlita, Sidwa-Gorycka, et al., 2008
Orlita, A.; Sidwa-Gorycka, M.; Kumirska, J.; Malinski, E.; Siedlecka, E.M.; Gajdus, J.; Lojkowska, E.; Stepnowski, P.,
Identification of Ruta graveolens L. metabolites accumulated in the presence of abiotic elicitors,
Biotechnol. Prog., 2008, 24, 1, 128-133, https://doi.org/10.1021/bp070261d
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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