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

*Links on SpectraBase are not permalinks.
(+)-NEOISOTHUJOL
SpectraBase Compound ID 91JfwmpOOAJ
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-/m0/s1
InChIKey DZVXRFMREAADPP-JLIMGVALSA-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 87izYks0oem
Name Neoisothujol
CAS Registry Number 21653-19-0
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
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-/m0/s1
InChIKey DZVXRFMREAADPP-JLIMGVALSA-N
Molecular Weight 154.253 g/mol
Number of Peaks 49
RI1 1150
RI2 827
SMILES O[C@]1([C@]([C@@]2([C@@](C1)(C(C)C)C2)[H])(C)[H])[H]
SPLASH splash10-0006-9100000000-01292322263a52cea222
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3R,4S,5R)-
Wiley ID LM_FFNSC3_1753