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5-(l-Menthyloxy)-4-benzylthio-3-(S)-chloro-2(5H)furanone
SpectraBase Compound ID HFTLIGMWNmL
InChI InChI=1S/C21H27ClO3S/c1-13(2)16-10-9-14(3)11-17(16)24-21-19(18(22)20(23)25-21)26-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,21H,9-12H2,1-3H3/t14-,16+,17-,21+/m1/s1
InChIKey IYDOBGQIVKKWSC-GAYYXQCQSA-N
Mol Weight 394.96 g/mol
Molecular Formula C21H27ClO3S
Exact Mass 394.136944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EsHbV8wA3c
Name 5-(l-Menthyloxy)-4-benzylthio-3-(S)-chloro-2(5H)furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClO3S
InChI InChI=1S/C21H27ClO3S/c1-13(2)16-10-9-14(3)11-17(16)24-21-19(18(22)20(23)25-21)26-12-15-7-5-4-6-8-15/h4-8,13-14,16-17,21H,9-12H2,1-3H3/t14-,16+,17-,21+/m1/s1
InChIKey IYDOBGQIVKKWSC-GAYYXQCQSA-N
Literature Reference DOI 10.1002/cjoc.19990170214
Molecular Weight 394.957 g/mol
SMILES [C@@]1(O[C@@]2(C(=C(C(O2)=O)Cl)SCc2ccccc2)[H])([C@](C(C)C)(CC[C@@](C)(C1)[H])[H])[H]
SPLASH splash10-0006-9015000000-160e929b946ea3b48a93
Source of Spectrum CJC-17-192-2b
Synonyms (S)-4-(benzylthio)-3-chloro-5-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)furan-2(5H)-one
Wiley ID 1773434