| SpectraBase Compound ID | 8VAPEldSLjj |
|---|---|
| InChI | InChI=1S/C17H19NO5S/c1-3-22-15(20)17(16(21)23-4-2)8-10-7-12(19)13(11(10)9-17)14-18-5-6-24-14/h5-6,10H,3-4,7-9H2,1-2H3 |
| InChIKey | UVFQMGFCHHROMC-UHFFFAOYSA-N |
| Mol Weight | 349.4 g/mol |
| Molecular Formula | C17H19NO5S |
| Exact Mass | 349.098394 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Atuh21jtEpK |
|---|---|
| Name | 3,3a,4,5-Tetrahydro-5-oxo-6-(2-thiazolyl)-2,2(1H)-pentalenedicarboxylic Acid Diethyl ester |
| Alternate Name(s) | diethyl 5-oxo-6-(1,3-thiazol-2-yl)-3,3a,4,5-tetrahydro-2,2(1H)-pentalenedicarboxylate 5-oxo-6-(2-thiazolyl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester diethyl 5-oxo-6-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate diethyl 5-oxo-6-thiazol-2-yl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate diethyl 5-oxidanylidene-6-(1,3-thiazol-2-yl)-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H19NO5S |
| InChI | InChI=1S/C17H19NO5S/c1-3-22-15(20)17(16(21)23-4-2)8-10-7-12(19)13(11(10)9-17)14-18-5-6-24-14/h5-6,10H,3-4,7-9H2,1-2H3 |
| InChIKey | UVFQMGFCHHROMC-UHFFFAOYSA-N |
| Molecular Weight | 349.401 g/mol |
| SMILES | C1(CC2=C(c3nccs3)C(CC2C1)=O)(C(=O)OCC)C(=O)OCC |
| SPLASH | splash10-004i-0094000000-869a5c968fdd705a8d7a |
| Source of Spectrum | J-62-3764-2 |
| Wiley ID | 1341299 |