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Patchouli alcohol
SpectraBase Compound ID 6d7If1hE13e
InChI InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14-,15-/m0/s1
InChIKey GGHMUJBZYLPWFD-YLXLXVFQSA-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 BO5MZNtyUlz
Name Patchouli Alcohol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14-,15-/m0/s1
InChIKey GGHMUJBZYLPWFD-YLXLXVFQSA-N
Literature Reference DOI 10.1002/cbdv.200590087
Molecular Weight 222.372 g/mol
SMILES O[C@]12[C@@]3([C@@]([C@](CC2)(C)[H])([H])C[C@](CC3)(C1(C)C)[H])C
SPLASH splash10-052r-4920000000-8dad573aff8b75a64376
Source of Spectrum CBD-2-1181-2
Synonyms (1S,4S,4aS,6S,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
Wiley ID 1790234