| SpectraBase Spectrum ID |
GKMPpEQSHpi |
| Name |
Dimethyl 4-(phenylsulfinyl)-1,4-cyclohexadiene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.071844784 u |
| Formula |
C16H16O5S |
| InChI |
InChI=1S/C16H16O5S/c1-20-15(17)13-9-8-12(10-14(13)16(18)21-2)22(19)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3 |
| InChIKey |
UELVJQVORPAPFS-UHFFFAOYSA-N |
| Molecular Weight |
320.359 g/mol |
| SMILES |
C1(=C(C(=O)OC)CC=C(C1)S(=O)C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968131 |
