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trans-3',4',4a',8a'-tetrahydro-8a'-methyl-6'-(phenylthio)-spiro[1,3-dioxo]ane-2,1'(2'H)-naphthalen]-8'(5'H)-one
SpectraBase Compound ID AFN3fmjxqvn
InChI InChI=1S/C19H22O3S/c1-18-14(6-5-9-19(18)21-10-11-22-19)12-16(13-17(18)20)23-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3/t14-,18+/m0/s1
InChIKey IAWDYOCRCHUERE-KBXCAEBGSA-N
Mol Weight 330.44 g/mol
Molecular Formula C19H22O3S
Exact Mass 330.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CipJjprIXN
Name trans-3',4',4a',8a'-tetrahydro-8a'-methyl-6'-(phenylthio)-spiro[1,3-dioxo]ane-2,1'(2'H)-naphthalen]-8'(5'H)-one
CAS Registry Number 105090-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3S
InChI InChI=1S/C19H22O3S/c1-18-14(6-5-9-19(18)21-10-11-22-19)12-16(13-17(18)20)23-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3/t14-,18+/m0/s1
InChIKey IAWDYOCRCHUERE-KBXCAEBGSA-N
Molecular Weight 330.442 g/mol
SMILES [C@]12(C(CC(=C[C@@]2(CCCC11OCCO1)[H])Sc1ccccc1)=O)C
SPLASH splash10-01u0-6933000000-a762b47a889f15560760
Source of Spectrum J-52-118-30
Synonyms (4'aS,8'aR)-8'a-methyl-6'-(phenylsulfanyl)-3',4',4'a,7',8',8'a-hexahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-8'-one
Wiley ID 1327907