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3-Ethoxycarbonyl-5-chloro-2H-benzoxazol-2-thione

View entire compound with spectra: 1 NMR, and 4 MS (GC)

3-Ethoxycarbonyl-5-chloro-2H-benzoxazol-2-thione
SpectraBase Compound ID 7xcQfyMb6zK
InChI InChI=1S/C10H8ClNO3S/c1-2-14-9(13)12-7-5-6(11)3-4-8(7)15-10(12)16/h3-5H,2H2,1H3
InChIKey DYRIAHRPJIXQOA-UHFFFAOYSA-N
Mol Weight 257.69 g/mol
Molecular Formula C10H8ClNO3S
Exact Mass 256.991342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qP0F84VrS9
Name 3-Ethoxycarbonyl-5-chloro-2H-benzoxazol-2-thione
Alternate Name(s) Ethyl 5-chloro-2-thioxo-1,3-benzoxazole-3(2H)-carboxylate 5-Chloro-2-sulfanylidene-1,3-benzoxazole-3-carboxylic acid ethyl ester 5-Chloro-2-thioxo-1,3-benzoxazole-3-carboxylic acid ethyl ester 5-Chloro-2-thioxo-benzooxazole-3-carboxylic acid ethyl ester Ethyl 5-chloro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Ethyl 5-chloranyl-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Ethyl 5-chloro-2-thioxo-1,3-benzoxazole-3-carboxylate
CAS Registry Number 313498-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClNO3S
InChI InChI=1S/C10H8ClNO3S/c1-2-14-9(13)12-7-5-6(11)3-4-8(7)15-10(12)16/h3-5H,2H2,1H3
InChIKey DYRIAHRPJIXQOA-UHFFFAOYSA-N
Molecular Weight 257.691 g/mol
SMILES CCOC(N1C(Oc2c1cc(cc2)Cl)=S)=O
SPLASH splash10-000i-2910000000-efab17291f27149ce909
Wiley ID 1459830