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cis--Sesquisabinene hydrate (IPP vs. OH)
SpectraBase Compound ID D2nr875HrK6
InChI InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m0/s1
InChIKey IRDFGGRWKUKANK-DKUMPPAJSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81nuyzN93cz
Name cis--Sesquisabinene hydrate (IPP vs. OH)
CAS Registry Number 58319-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
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/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12?,13-,14+,15-/m0/s1
InChIKey IRDFGGRWKUKANK-DKUMPPAJSA-N
Molecular Weight 222.372 g/mol
SMILES O[C@]1([C@]2([C@@](C(CCC=C(C)C)C)(CC1)C2)[H])C
SPLASH splash10-00kf-9400000000-b3327a2b5f0d66557832
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Sesquisabinene hydrate (IPP vs. OH)
Wiley ID 1887018