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2-Acetyl-4-(4'-chlorophenyl)-1,3,4-benzothiadiazepin-5(4H)-one
SpectraBase Compound ID BQGKhPXONsj
InChI InChI=1S/C16H11ClN2O2S/c1-10(20)15-18-19(12-8-6-11(17)7-9-12)16(21)13-4-2-3-5-14(13)22-15/h2-9H,1H3
InChIKey NGFACCRAIJIYBH-UHFFFAOYSA-N
Mol Weight 330.79 g/mol
Molecular Formula C16H11ClN2O2S
Exact Mass 330.022976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iRThnlL72
Name 2-Acetyl-4-(4'-chlorophenyl)-1,3,4-benzothiadiazepin-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2O2S
InChI InChI=1S/C16H11ClN2O2S/c1-10(20)15-18-19(12-8-6-11(17)7-9-12)16(21)13-4-2-3-5-14(13)22-15/h2-9H,1H3
InChIKey NGFACCRAIJIYBH-UHFFFAOYSA-N
Molecular Weight 330.789 g/mol
SMILES C1(=NN(C(c2c(S1)cccc2)=O)c1ccc(cc1)Cl)C(=O)C
SPLASH splash10-03dr-1900000000-d23864b0770f26b4bb60
Source of Spectrum O1-63-1161-6
Synonyms 2-Acetyl-4-(4-chlorophenyl)-1,3,4-benzothiadiazepin-5(4H)-one
Wiley ID 1592688