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S-(1,3-Benzothiazol-2-yl) 3-nitrobenzenecarbothioate
SpectraBase Compound ID 9kKA1vYa2CW
InChI InChI=1S/C14H8N2O3S2/c17-13(9-4-3-5-10(8-9)16(18)19)21-14-15-11-6-1-2-7-12(11)20-14/h1-8H
InChIKey UUMDUZJBBUHAGE-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C14H8N2O3S2
Exact Mass 315.997634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAWciFlLedy
Name S-(1,3-Benzothiazol-2-yl) 3-nitrobenzenecarbothioate
CAS Registry Number 138325-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2O3S2
InChI InChI=1S/C14H8N2O3S2/c17-13(9-4-3-5-10(8-9)16(18)19)21-14-15-11-6-1-2-7-12(11)20-14/h1-8H
InChIKey UUMDUZJBBUHAGE-UHFFFAOYSA-N
Molecular Weight 316.349 g/mol
SMILES C(Sc1sc2ccccc2n1)(=O)c1cc(ccc1)N(=O)=O
SPLASH splash10-0udi-8900000000-e3247627873ae8b23572
Source of Spectrum AD-0-2532-0
Synonyms 3-Nitrobenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester 3-Nitrothiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Thiobenzoic acid, 3-nitro-, S-(2-benzothiazolyl) ester
Wiley ID 1424544