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1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isocyanato-, ethyl ester
SpectraBase Compound ID KANCJZsLADW
InChI InChI=1S/C12H13NO3S/c1-2-16-12(15)10-8-5-3-4-6-9(8)17-11(10)13-7-14/h2-6H2,1H3
InChIKey ZXBDLPWYYRINBL-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtsGKgudxW9
Name 1-Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isocyanato-, ethyl ester
Alternate Name(s) 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-isocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-2-16-12(15)10-8-5-3-4-6-9(8)17-11(10)13-7-14/h2-6H2,1H3
InChIKey ZXBDLPWYYRINBL-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES c1(sc2c(c1C(OCC)=O)CCCC2)N=C=O
SPLASH splash10-0ufr-6950000000-a6d93aa880dc275e1e5f
Source of Spectrum IY-1-4554-9
Wiley ID 1653532