Benzaldehyde, 2,4,5-trimethoxy-
- Formula: C10H12O4
- Molecular weight: 196.1999
- IUPAC Standard InChI: InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
- IUPAC Standard InChIKey: IAJBQAYHSQIQRE-UHFFFAOYSA-N
- CAS Registry Number: 4460-86-0
- 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: 2,4,5-Trimethoxybenzaldehyde; Asaronaldehyde; Asaraldehyde; 3,4,6-Trimethoxybenzaldehyde; Azarylaldehyde; Gazarin; NCI-C61632; NSC 89299
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-8007 |
| NIST MS number | 237823 |
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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1620. | Suárez, Vásquez, et al., 2005 | He, 60. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 290. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Wax 52 CB | 2233. | Chen, Chyau, et al., 2007 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 220. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Suárez, Vásquez, et al., 2005
Suárez, A.I.; Vásquez, L.J.; Manzano, M.A.; Compagnone, R.S.,
Essential oil composition of Croton cuneatus and Croton malambo growing in Venezuela,
Flavour Fragr. J., 2005, 20, 6, 611-614, https://doi.org/10.1002/ffj.1498
. [all data]
Chen, Chyau, et al., 2007
Chen, C.-C.; Chyau, C.-C.; Hseu, TY.-H.,
Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata,
Lett. Appl. Microbiol., 2007, 44, 4, 387-392, https://doi.org/10.1111/j.1472-765X.2006.02087.x
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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