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Butyl 6-chloro-2-thioxo-1,3-benzoxazole-3(2H)-carboxylate
SpectraBase Compound ID AvBJ68h7kaa
InChI InChI=1S/C12H12ClNO3S/c1-2-3-6-16-11(15)14-9-5-4-8(13)7-10(9)17-12(14)18/h4-5,7H,2-3,6H2,1H3
InChIKey SERKGZVEUSVOMO-UHFFFAOYSA-N
Mol Weight 285.75 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TfJhMcvEmr
Name Butyl 6-chloro-2-thioxo-1,3-benzoxazole-3(2H)-carboxylate
Alternate Name(s) 6-Chloro-2-sulfanylidene-1,3-benzoxazole-3-carboxylic acid butyl ester 6-Chloro-2-thioxo-1,3-benzoxazole-3-carboxylic acid butyl ester Benzoxazole-3-carboxylic acid, 2,3-dihydro-6-chloro-2-thioxo-, butyl ester Butyl 6-chloranyl-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Butyl 6-chloro-2-sulfanylidene-1,3-benzoxazole-3-carboxylate Butyl 6-chloro-2-thioxo-1,3-benzoxazole-3-carboxylate
CAS Registry Number 49740-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c1-2-3-6-16-11(15)14-9-5-4-8(13)7-10(9)17-12(14)18/h4-5,7H,2-3,6H2,1H3
InChIKey SERKGZVEUSVOMO-UHFFFAOYSA-N
Molecular Weight 285.745 g/mol
SMILES CCCCOC(N1C(Oc2c1ccc(Cl)c2)=S)=O
SPLASH splash10-0006-9200000000-88a056485379ace917a5
Source of Spectrum AD-0-2532-0
Wiley ID 1430909