| SpectraBase Compound ID | KQ0eoP2BUlD |
|---|---|
| InChI | InChI=1S/C16H17NO4S/c1-2-9-21-16(20)14-10-5-3-4-6-11(10)22-15(14)17-12(18)7-8-13(17)19/h7-8H,2-6,9H2,1H3 |
| InChIKey | CHCKCIKQXZSZGT-UHFFFAOYSA-N |
| Mol Weight | 319.38 g/mol |
| Molecular Formula | C16H17NO4S |
| Exact Mass | 319.087829 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HO5JUwRFHvq |
|---|---|
| Name | 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-, propyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO4S |
| InChI | InChI=1S/C16H17NO4S/c1-2-9-21-16(20)14-10-5-3-4-6-11(10)22-15(14)17-12(18)7-8-13(17)19/h7-8H,2-6,9H2,1H3 |
| InChIKey | CHCKCIKQXZSZGT-UHFFFAOYSA-N |
| Molecular Weight | 319.375 g/mol |
| SMILES | c1(N2C(C=CC2=O)=O)c(c2CCCCc2s1)C(=O)OCCC |
| SPLASH | splash10-0a59-5391000000-0fb5f00c6c314d2b5d5f |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-(2,5-dioxo-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester 2-maleimido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Propyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Propyl 2-(2,5-dioxopyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Propyl 2-(2,5-dioxopyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Propyl 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Wiley ID | 1434989 |