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4H-1-Benzothiopyran-4-one, 3-[(2-chlorocyclopentyl)thio]-, trans-
SpectraBase Compound ID JfH5Qd7wbfw
InChI InChI=1S/C14H13ClOS2/c15-10-5-3-7-12(10)18-13-8-17-11-6-2-1-4-9(11)14(13)16/h1-2,4,6,8,10,12H,3,5,7H2/t10-,12-/m1/s1
InChIKey VHWUKEDYJGNTGW-ZYHUDNBSSA-N
Mol Weight 296.83 g/mol
Molecular Formula C14H13ClOS2
Exact Mass 296.009635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ew2dj84toMT
Name 4H-1-Benzothiopyran-4-one, 3-[(2-chlorocyclopentyl)thio]-, trans-
CAS Registry Number 121926-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClOS2
InChI InChI=1S/C14H13ClOS2/c15-10-5-3-7-12(10)18-13-8-17-11-6-2-1-4-9(11)14(13)16/h1-2,4,6,8,10,12H,3,5,7H2/t10-,12-/m1/s1
InChIKey VHWUKEDYJGNTGW-ZYHUDNBSSA-N
Molecular Weight 296.830 g/mol
SMILES C=1(C(c2ccccc2SC1)=O)S[C@]1([C@](Cl)(CCC1)[H])[H]
SPLASH splash10-03dj-0490000000-462b7eff92b5376eff99
Source of Spectrum I-67-378-10
Synonyms 3-{[(1R,2R)-2-chlorocyclopentyl]sulfanyl}-4H-1-benzothiopyran-4-one trans-3-(2'-chlorocyclopentylthio)thiochromone
Wiley ID 1298745