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

*Links on SpectraBase are not permalinks.
iso-3-Thujanol
SpectraBase Compound ID DAOCUNcijUg
InChI InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-,10-/m1/s1
InChIKey DZVXRFMREAADPP-UTINFBMNSA-N
Mol Weight 154.25 g/mol
Molecular Formula C10H18O
Exact Mass 154.135765 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 4UsTdSIKCu
Name Thujanol
CAS Registry Number 7712-79-0
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 154.135765199 u
Formula C10H18O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-,10-/m1/s1
InChIKey DZVXRFMREAADPP-UTINFBMNSA-N
Molecular Weight 154.253 g/mol
Nominal Mass 154 u
Number of Peaks 71
SMILES O[C@]1([C@@]([C@@]2(C[C@@]2(C1)C(C)C)[H])(C)[H])[H]
SPLASH splash10-0006-9100000000-afcd42e51d73d6499b1f
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001314