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Caryophyllene <14-hydroxy-.beta.-> ferulate, mono-TMS
SpectraBase Compound ID G3H4yPLxoso
InChI InChI=1S/C28H40O4Si/c1-20-9-8-10-22(11-14-24-23(20)18-28(24,2)3)19-31-27(29)16-13-21-12-15-25(26(17-21)30-4)32-33(5,6)7/h10,12-13,15-17,23-24H,1,8-9,11,14,18-19H2,2-7H3/b16-13+,22-10-
InChIKey KCXLGRSQWOZCQW-LOBNVGNVSA-N
Mol Weight 468.7 g/mol
Molecular Formula C28H40O4Si
Exact Mass 468.269586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mMxFvlbruD
Name Caryophyllene <6-hydroxy-.beta.-> ferulate, 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 468.269586299 u
Formula C28H40O4Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C28H40O4Si/c1-20-9-8-10-22(11-14-24-23(20)18-28(24,2)3)19-31-27(29)16-13-21-12-15-25(26(17-21)30-4)32-33(5,6)7/h10,12-13,15-17,23-24H,1,8-9,11,14,18-19H2,2-7H3/b16-13+,22-10-
InChIKey KCXLGRSQWOZCQW-LOBNVGNVSA-N
Molecular Weight 468.709 g/mol
Nominal Mass 468 u
Number of Peaks 62
SMILES c1c(c(cc(c1)\C=C\C(OC\C1=C/CCC(C2C(CC1)C(C2)(C)C)=C)=O)OC)O[Si](C)(C)C
SPLASH splash10-01b9-3390000000-5cf27afdef18982979f5
Source Betula pubescens buds
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms 14-Hydroxy-.beta.-caryophyllene ferulate, mono-TMS
Wiley ID VI000348