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

*Links on SpectraBase are not permalinks.
Valencene 14-hydrate
SpectraBase Compound ID AJRJDrK7k0Q
InChI InChI=1S/C15H26O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,11-13,16H,4-5,7-10H2,1-3H3/t11?,12-,13-,15+/m1/s1
InChIKey HNBGUJIJKDTHJY-ZRHOGWTASA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 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 6W7rlXz2bp6
Name Valencene 14-hydrate
Appearance Colorless viscous oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
GC Oven Program Oven temp 300oC
InChI InChI=1S/C15H26O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,11-13,16H,4-5,7-10H2,1-3H3/t11?,12-,13-,15+/m1/s1
InChIKey HNBGUJIJKDTHJY-ZRHOGWTASA-N
Instrument Name Agilent 7890A-5975C inert XL MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201901782
Molecular Weight 222.372 g/mol
SMILES OCC([C@@]1(CCC2=CCC[C@]([C@@]2(C1)C)(C)[H])[H])C
SPLASH splash10-06vl-9700000000-3cfc493e93f3010b1cba
Sample Comments dr = 1:1
Source of Spectrum ACI-58-SM14-14-1
Wiley ID 1875344