| SpectraBase Spectrum ID |
18CMvk5yco4 |
| Name |
1-[[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxymethyl]-4-methoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.108230294 u |
| Formula |
C19H20O4S |
| InChI |
InChI=1S/C19H20O4S/c1-22-17-9-7-15(8-10-17)14-23-19-13-16(19)11-12-24(20,21)18-5-3-2-4-6-18/h2-12,16,19H,13-14H2,1H3/b12-11+/t16-,19+/m0/s1 |
| InChIKey |
VXXAAXNCSXTSST-RCDKPBPISA-N |
| Molecular Weight |
344.425 g/mol |
| SMILES |
[C@@]1(\C=C\S(=O)(=O)C=2C=CC=CC2)([C@](OCC=2C=CC(=CC2)OC)(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904005 |
![1-[[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxymethyl]-4-methoxybenzene](/api/spectrum/18CMvk5yco4/structure.png?h=300&w=458 "1-[[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxymethyl]-4-methoxybenzene")
