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(1S,4S)-(-)-cis-4-thujanol
SpectraBase Compound ID aEl7HVsni6
InChI InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey KXSDPILWMGFJMM-GUBZILKMSA-N
Mol Weight 154.25 g/mol
Molecular Formula C10H18O
Exact Mass 154.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKKr8ytTzfP
Name Sabinene hydrate
CAS Registry Number 15537-55-0
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/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey KXSDPILWMGFJMM-GUBZILKMSA-N
Molecular Weight 154.253 g/mol
Number of Peaks 50
RI1 1069
RI2 742
SMILES O[C@@]1([C@]2([C@](CC1)(C(C)C)C2)[H])C
SPLASH splash10-0006-9100000000-b84f0dc938c47675ea3c
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-2-ol, 2-methyl-5-(1-methylethyl)-, (1R,2S,5S)-
Wiley ID LM_FFNSC3_953