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[1RS,5RS,S(s),R(s)]-4,4-dimethyl-2-(phenylsulfinyl)bicyclo[3.2.1]oct-2-en-1-ol
SpectraBase Compound ID AD4NCW2moVE
InChI InChI=1S/C16H20O2S/c1-15(2)11-14(16(17)9-8-12(15)10-16)19(18)13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3/t12-,16-,19?/m0/s1
InChIKey WAAZQPVENRMEAR-FTUQNNFZSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZXqNX0AHX3
Name [1RS,5RS,S(s),R(s)]-4,4-dimethyl-2-(phenylsulfinyl)bicyclo[3.2.1]oct-2-en-1-ol
Alternate Name(s) (1S,5S)-4,4-dimethyl-2-(phenylsulfinyl)bicyclo[3.2.1]oct-2-en-1-ol
CAS Registry Number 126455-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-15(2)11-14(16(17)9-8-12(15)10-16)19(18)13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3/t12-,16-,19?/m0/s1
InChIKey WAAZQPVENRMEAR-FTUQNNFZSA-N
Molecular Weight 276.394 g/mol
SMILES O[C@]12C([S@@](=O)c3ccccc3)=CC([C@]([H])(C1)CC2)(C)C
SPLASH splash10-0a6s-0790000000-46bcd5e0dc78302c6c45
Source of Spectrum B-42-1481-15
Wiley ID 1280102