| SpectraBase Compound ID | LFxD92PP99t |
|---|---|
| InChI | InChI=1S/C9H11NO4S/c11-5-7-9(12)6-3-1-2-4-8(6)15(13,14)10-7/h1-4,7,9-12H,5H2/t7-,9+/m1/s1 |
| InChIKey | VYTQKFXTABDZOH-APPZFPTMSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C9H11NO4S |
| Exact Mass | 229.040879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BGWayCv5ULP |
|---|---|
| Name | 4(S)-Hydroxy-3(R)-hydroxymethyl-3,4-dihydro-2H-1,2-benzthiazine 1,1-dioxide |
| Alternate Name(s) | (3R,4S)-1,1-diketo-3-methylol-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-dioxo-3,4-dihydro-2H-1,2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ol 1,1-dioxide (3R,4S)-3-(hydroxymethyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2-benzothiazin-4-ol (3R,4S)-3-(hydroxymethyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2-benzothiazin-4-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11NO4S |
| InChI | InChI=1S/C9H11NO4S/c11-5-7-9(12)6-3-1-2-4-8(6)15(13,14)10-7/h1-4,7,9-12H,5H2/t7-,9+/m1/s1 |
| InChIKey | VYTQKFXTABDZOH-APPZFPTMSA-N |
| Molecular Weight | 229.250 g/mol |
| SMILES | N1[C@](CO)([C@](c2c(S1(=O)=O)cccc2)(O)[H])[H] |
| SPLASH | splash10-0002-0910000000-1c02a134cf831991ef70 |
| Source of Spectrum | J-65-7694-13 |
| Wiley ID | 1533696 |