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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-formyl-, ethyl ester
SpectraBase Compound ID 8n2DkwrwVHW
InChI InChI=1S/C6H6N2O3S3/c1-2-11-6(10)5-4(3-9)12-7-14-8-13-5/h3H,2H2,1H3
InChIKey YFKZHPCEUREFFB-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C6H6N2O3S3
Exact Mass 249.954056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41KC3dTq7Lz
Name 1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-formyl-, ethyl ester
CAS Registry Number 112390-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O3S3
InChI InChI=1S/C6H6N2O3S3/c1-2-11-6(10)5-4(3-9)12-7-14-8-13-5/h3H,2H2,1H3
InChIKey YFKZHPCEUREFFB-UHFFFAOYSA-N
Molecular Weight 250.305 g/mol
SMILES C=1(SN=S=NSC1C=O)C(=O)OCC
SPLASH splash10-004j-9340000000-7057b3c32006dd6a3637
Source of Spectrum KC-1987-1583-14
Synonyms Ethyl 7-formyl-1,3,5,2,4-trithiadiazepine-6-carboxylate
Wiley ID 1252552