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1,3-Benzoxazole-5-carboxylic acid, 2-mercapto-, methyl ester

View entire compound with spectra: 1 MS (GC)

1,3-Benzoxazole-5-carboxylic acid, 2-mercapto-, methyl ester
SpectraBase Compound ID IPDp8kRLKF1
InChI InChI=1S/C9H7NO3S/c1-12-8(11)5-2-3-7-6(4-5)10-9(14)13-7/h2-4H,1H3,(H,10,14)
InChIKey JMJGRFGKJKXVPP-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C9H7NO3S
Exact Mass 209.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KUxBYNk8oS
Name 1,3-Benzoxazole-5-carboxylic acid, 2-mercapto-, methyl ester
Alternate Name(s) 2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylic acid methyl ester Methyl 2-thioxo-3H-1,3-benzoxazole-5-carboxylate Methyl 2-sulfanylidene-3H-1,3-benzoxazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3S
InChI InChI=1S/C9H7NO3S/c1-12-8(11)5-2-3-7-6(4-5)10-9(14)13-7/h2-4H,1H3,(H,10,14)
InChIKey JMJGRFGKJKXVPP-UHFFFAOYSA-N
Molecular Weight 209.219 g/mol
SMILES Sc1nc2c(ccc(C(=O)OC)c2)o1
SPLASH splash10-056r-6940000000-9d3aedda82200774907d
Source of Spectrum IY-1-4355-9
Wiley ID 1651542