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(1R,2R,3S,5R)-(-)-2,3-Pinanediol
SpectraBase Compound ID CzBDcEnQZuX
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-/m1/s1
InChIKey MOILFCKRQFQVFS-BDNRQGISSA-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 1v5c2xrtMGc
Name cis-2,3-Pinanediol
Alternate Name(s) Pinanediol
CAS Registry Number 18680-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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-/m1/s1
InChIKey MOILFCKRQFQVFS-BDNRQGISSA-N
Molecular Weight 170.252 g/mol
SMILES O[C@@]1([C@]2(C([C@@](C[C@@]1(O)[H])(C2)[H])(C)C)[H])C
SPLASH splash10-0006-9100000000-7d1adc5a306e19e0eab0
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886880