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Ethanethioic acid, S-[(4,4a,5,6,8a,9-hexahydro-4,4-dimethylnaphtho[2,3-b]furan-7-yl)methyl]ester, (4aS-cis)-
SpectraBase Compound ID 1EXoBshkRij
InChI InChI=1S/C17H22O2S/c1-11(20)19-10-12-4-5-14-13(8-12)9-16-15(6-7-18-16)17(14,2)3/h6-8,13-14H,4-5,9-10H2,1-3H3/t13?,14-/m0/s1
InChIKey WCYGYXJWHRELFX-KZUDCZAMSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n7WY7iPsLP
Name Ethanethioic acid, S-[(4,4a,5,6,8a,9-hexahydro-4,4-dimethylnaphtho[2,3-b]furan-7-yl)methyl]ester, (4aS-cis)-
CAS Registry Number 70546-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-11(20)19-10-12-4-5-14-13(8-12)9-16-15(6-7-18-16)17(14,2)3/h6-8,13-14H,4-5,9-10H2,1-3H3/t13?,14-/m0/s1
InChIKey WCYGYXJWHRELFX-KZUDCZAMSA-N
Molecular Weight 290.421 g/mol
SMILES c12C([C@]3(CCC(=CC3Cc2occ1)COC(=S)C)[H])(C)C
SPLASH splash10-00di-2910000000-8a79a925b05089950eff
Source of Spectrum B-42-2187-13
Synonyms Naphtho[2,3-b]furan, ethanethioic acid deriv. (+)-S-(4,4-dimethyl-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan-7-yl)methyl ethanethioate O-{[(4aS)-4,4-dimethyl-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan-7-yl]methyl} ethanethioate Thiofurodysinin acetate
Wiley ID 1293681