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Valerianol
SpectraBase Compound ID BFS9SPud5ZF
InChI InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey MQWIFDHBNGIVPO-KYOSRNDESA-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 E0OAlGVIbdj
Name 2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]-2-propanol
CAS Registry Number 20489-45-6
Comments Less than 3 mono-isotopic peaks
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Formula C15H26O
InChI InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey MQWIFDHBNGIVPO-KYOSRNDESA-N
Molecular Weight 222.372 g/mol
SMILES OC([C@]1(C[C@@]2(C(CC1)=CCC[C@]2(C)[H])C)[H])(C)C
SPLASH splash10-00di-0090000000-f1274557bb6aa3dd8a9c
Source of Spectrum H-65-2221-0
Synonyms 2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol Kusunol Valerianol
Wiley ID 1223305