For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Caffeic acid <(E)-, 3-acetoxy-3-methyl-3-butenyl->, mono-TMS
SpectraBase Compound ID DmhSShQ4Pgo
InChI InChI=1S/C19H26O5Si/c1-14(2)11-12-22-19(21)10-8-16-7-9-17(24-25(4,5)6)18(13-16)23-15(3)20/h7-10,13H,1,11-12H2,2-6H3/b10-8+
InChIKey NXRJJFYGQYRJDU-CSKARUKUSA-N
Mol Weight 362.5 g/mol
Molecular Formula C19H26O5Si
Exact Mass 362.15495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2uJCZa4LC2d
Name Caffeic acid <(E)-, 3-acetoxy-3-methyl-3-butenyl->, mono-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 362.154950467 u
Formula C19H26O5Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C19H26O5Si/c1-14(2)11-12-22-19(21)10-8-16-7-9-17(24-25(4,5)6)18(13-16)23-15(3)20/h7-10,13H,1,11-12H2,2-6H3/b10-8+
InChIKey NXRJJFYGQYRJDU-CSKARUKUSA-N
Molecular Weight 362.497 g/mol
Nominal Mass 362 u
Number of Peaks 112
SMILES c1c(c(cc(c1)\C=C\C(OCCC(=C)C)=O)OC(=O)C)O[Si](C)(C)C
SPLASH splash10-0079-2394000000-af69dcd6227bade1f721
Source L. Glinka; poplar (P. nigra) buds; poplar-type propolis
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 3-Methyl-3-butenyl-3-acetyloxy (E)-caffeate, mono-TMS
Wiley ID VI000242