| SpectraBase Spectrum ID |
GzKE3R4EEyu |
| Name |
(6R,7R)-3-Methyl-4-methylene-5,8-dioxo-7-phenylacetylamino-5.lambda.4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.093642857 u |
| Formula |
C18H18N2O5S |
| InChI |
InChI=1S/C18H18N2O5S/c1-10-11(2)26(24)17-14(16(22)20(17)15(10)18(23)25-3)19-13(21)9-12-7-5-4-6-8-12/h4-8,14,17H,2,9H2,1,3H3,(H,19,21)/t14-,17-,26?/m1/s1 |
| InChIKey |
SDMWMKWMFOTRTL-SULYVNRTSA-N |
| Molecular Weight |
374.411 g/mol |
| SMILES |
[C@@]12(N(C(=C(C(S2=O)=C)C)C(=O)OC)C([C@]1(NC(=O)CC1=CC=CC=C1)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890152 |
![(6R,7R)-3-Methyl-4-methylene-5,8-dioxo-7-phenylacetylamino-5.lambda.4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester](/api/spectrum/GzKE3R4EEyu/structure.png?h=300&w=458 "(6R,7R)-3-Methyl-4-methylene-5,8-dioxo-7-phenylacetylamino-5.lambda.4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester")
