| SpectraBase Spectrum ID |
3aBCkZucnM0 |
| Name |
2H-1,3-Thiazine-6-carboxylic acid, 3,4-dihydro-3-isopropyl-2-(isopropylimino)-4-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.103813619 u |
| Formula |
C12H18N2O3S |
| InChI |
InChI=1S/C12H18N2O3S/c1-7(2)13-12-14(8(3)4)10(15)6-9(18-12)11(16)17-5/h6-8H,1-5H3/b13-12- |
| InChIKey |
PGLGOLRYTOYVGX-SEYXRHQNSA-N |
| SMILES |
C(\N=C\1N(C(C)C)C(=O)C=C(S1)C(OC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951286 |
