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1,3,5,2,4-Trithia(3-SIV)diazepine-6,7-dicarboxylic acid, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 2hLCBdGVDGU
InChI InChI=1S/C12H18N2O4S3/c1-11(2,3)17-9(15)7-8(20-14-21-13-19-7)10(16)18-12(4,5)6/h1-6H3
InChIKey WDRZGVSIPXTMQA-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C12H18N2O4S3
Exact Mass 350.042871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kgnwjgzvT7
Name 1,3,5,2,4-Trithia(3-SIV)diazepine-6,7-dicarboxylic acid, bis(1,1-dimethylethyl) ester
Alternate Name(s) 6,7-Di-tert-butyl 1,3,5,2,4-trithiadiazepine-6,7-dicarboxylate Di-t-butyl 1,3.lambda4.delta2,5,2,4-trithiadiazepine-6,7-dicarboxylate
CAS Registry Number 109988-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4S3
InChI InChI=1S/C12H18N2O4S3/c1-11(2,3)17-9(15)7-8(20-14-21-13-19-7)10(16)18-12(4,5)6/h1-6H3
InChIKey WDRZGVSIPXTMQA-UHFFFAOYSA-N
Molecular Weight 350.466 g/mol
SMILES C1(=C(C(OC(C)(C)C)=O)SN=S=NS1)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9010000000-3180a1792468a5f92d36
Source of Spectrum KC-1987-215-14
Wiley ID 1341614