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

*Links on SpectraBase are not permalinks.
trans-Valerenyl acetate
SpectraBase Compound ID CRDMFsB7YnI
InChI InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9+/t12-,15+,16-/m1/s1
InChIKey GMTBKCJRMNJNFL-MYNFKVGTSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 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 9W5O021xzfF
Name trans-Valerenyl acetate
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.193280075 u
Formula C17H26O2
GC Column DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9+/t12-,15+,16-/m1/s1
InChIKey GMTBKCJRMNJNFL-MYNFKVGTSA-N
Inlet Type split (20:1)
Instrument Name Shimadzu GC/MS-QP 2010SE
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300793
Molecular Weight 262.393 g/mol
Quality 500
SMILES [C@]1(C=2[C@@]([C@@](CC1)(C)[H])(CCC2C)[H])(\C=C\(COC(C)=O)C)[H]
SPLASH splash10-0006-8910000000-16430bd8700ad199cd61
Source of Spectrum CBD-20-SM3-No-48 (DOI: 10.1002/cbdv.202300793)
Wiley ID 1909976