| SpectraBase Spectrum ID |
Erx7CFMTAug |
| Name |
1-Benzyl-1-tosyl-2-methylenecyclopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.102750992 u |
| Formula |
C18H18O2S |
| InChI |
InChI=1S/C18H18O2S/c1-14-8-10-17(11-9-14)21(19,20)18(12-15(18)2)13-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3 |
| InChIKey |
GCSWBFJYSGLVIG-UHFFFAOYSA-N |
| Molecular Weight |
298.400 g/mol |
| SMILES |
C1(S(C2=CC=C(C=C2)C)(=O)=O)(C(=C)C1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933441 |
