![2-[(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d][1,3]oxazin-2-yl)thio]acetic acid methyl ester](/api/spectrum/EGHSoc5WECa/structure.png?h=300&w=458 "2-[(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d][1,3]oxazin-2-yl)thio]acetic acid methyl ester")
| SpectraBase Compound ID | GxgSHBJQITY |
|---|---|
| InChI | InChI=1S/C13H13NO4S2/c1-17-9(15)6-19-13-14-11-10(12(16)18-13)7-4-2-3-5-8(7)20-11/h2-6H2,1H3 |
| InChIKey | VWNNYDTZUQQBBD-UHFFFAOYSA-N |
| Mol Weight | 311.37 g/mol |
| Molecular Formula | C13H13NO4S2 |
| Exact Mass | 311.0286 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EGHSoc5WECa |
|---|---|
| Name | 2-[(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d][1,3]oxazin-2-yl)thio]acetic acid methyl ester |
| Alternate Name(s) | 2-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)thio]acetic acid methyl ester methyl 2-[(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)sulfanyl]ethanoate methyl 2-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-2-yl)sulfanyl]acetate methyl 2-[(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d][1,3]oxazin-2-yl)sulfanyl]acetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13NO4S2 |
| InChI | InChI=1S/C13H13NO4S2/c1-17-9(15)6-19-13-14-11-10(12(16)18-13)7-4-2-3-5-8(7)20-11/h2-6H2,1H3 |
| InChIKey | VWNNYDTZUQQBBD-UHFFFAOYSA-N |
| Molecular Weight | 311.370 g/mol |
| SMILES | C=1(OC(c2c(N1)sc1c2CCCC1)=O)SCC(=O)OC |
| SPLASH | splash10-0a4i-0092000000-4f2b41a31ed623bde2a6 |
| Source of Spectrum | F2-41-1738-49 |
| Wiley ID | 1599611 |