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2-Ethyl-4-(3'-chloropropanoyl)-4,5,6,7-tetrahydrothieno[2,3-b]-(1,4)-thiazepine
SpectraBase Compound ID Go1wqMLP11n
InChI InChI=1S/C12H16ClNOS2/c1-2-9-8-10-12(17-9)16-7-3-6-14(10)11(15)4-5-13/h8H,2-7H2,1H3
InChIKey ZJURDIPCXSCJSX-UHFFFAOYSA-N
Mol Weight 289.84 g/mol
Molecular Formula C12H16ClNOS2
Exact Mass 289.036184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cmh6tKzNfxf
Name 2-Ethyl-4-(3'-chloropropanoyl)-4,5,6,7-tetrahydrothieno[2,3-b]-(1,4)-thiazepine
Alternate Name(s) 4-(3-Chloropropanoyl)-2-ethyl-4,5,6,7-tetrahydrothieno[2,3-b][1,4]thiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16ClNOS2
InChI InChI=1S/C12H16ClNOS2/c1-2-9-8-10-12(17-9)16-7-3-6-14(10)11(15)4-5-13/h8H,2-7H2,1H3
InChIKey ZJURDIPCXSCJSX-UHFFFAOYSA-N
Molecular Weight 289.839 g/mol
SMILES c12c(sc(c2)CC)SCCCN1C(CCCl)=O
SPLASH splash10-00kv-0690000000-f99ddca78a39d68b11b0
Source of Spectrum D8-328-316-10
Wiley ID 1515856