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1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-

View entire compound with spectra: 1 MS (GC)

1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-
SpectraBase Compound ID K9gNTw6j1cm
InChI InChI=1S/C19H26O2S/c1-18(2)10-9-16(20)19(3)15(18)11-14(12-17(19)21)22-13-7-5-4-6-8-13/h4-8,12,15-17,20-21H,9-11H2,1-3H3/t15-,16+,17-,19+/m0/s1
InChIKey BKZKYXXRZMAGMB-MJQMVNBJSA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pk1DjyKXQe
Name 1,8-Naphthalenediol, 1,2,3,4,4a,5,8,8a-octahydro-4,4,8a-trimethyl-6-(phenylthio)-, (1.alpha.,4a.beta.,8.alpha.,8a.alpha.)-
Alternate Name(s) (1R,4aS,8S,8aR)-4,4,8a-trimethyl-6-(phenylsulfanyl)-1,2,3,4,4a,5,8,8a-octahydro-1,8-naphthalenediol trans-3-phenylthio-5,6,4a,8a,7,8-hexahydro-5,5,8a-trimethyl-naphthalen-8.beta.-hydroxy-1.beta.(1H,4H)-ol
CAS Registry Number 130385-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-18(2)10-9-16(20)19(3)15(18)11-14(12-17(19)21)22-13-7-5-4-6-8-13/h4-8,12,15-17,20-21H,9-11H2,1-3H3/t15-,16+,17-,19+/m0/s1
InChIKey BKZKYXXRZMAGMB-MJQMVNBJSA-N
Molecular Weight 318.475 g/mol
SMILES O[C@@]1(CCC([C@]2([C@]1([C@](C=C(C2)Sc1ccccc1)(O)[H])C)[H])(C)C)[H]
SPLASH splash10-0aou-9730000000-8f2a2e921501d0f51618
Source of Spectrum I-68-1176-31
Wiley ID 1318609