(E)-3-Butylidene phthalide
- Formula: C12H12O2
- Molecular weight: 188.2225
- IUPAC Standard InChI: InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
- IUPAC Standard InChIKey: WMBOCUXXNSOQHM-DHZHZOJOSA-N
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3-Butylidenephthalide, (E)-
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, polar column, custom temperature program
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP Innowax FSP | Innowax |
| Column length (m) | 60. | 60. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
| I | 2554. | 2554. |
| Reference | Wedge, Klun, et al., 2009 | Baser, Özek, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J.,
Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity,
J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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