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Pinanediol<cis-2,3->
SpectraBase Compound ID H6svB3yPQrY
InChI InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8?,10-/m0/s1
InChIKey MOILFCKRQFQVFS-ABZRCEQJSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3L3ekIx5tc
Name Pinanediol
CAS Registry Number 18680-27-8
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8?,10-/m0/s1
InChIKey MOILFCKRQFQVFS-ABZRCEQJSA-N
Molecular Weight 170.252 g/mol
Number of Peaks 50
RI1 1321
SMILES OC1C[C@]2(C([C@@]([C@]1(C)O)(C2)[H])(C)C)[H]
SPLASH splash10-0006-9100000000-b036a6e56ea55922013c
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[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-
Wiley ID LM_FFNSC3_2651