| SpectraBase Spectrum ID |
BhnO5qocj7C |
| Name |
6-Benzyl 1-methyl 2-methylenehexanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.120509056 u |
| Formula |
C15H18O4 |
| InChI |
InChI=1S/C15H18O4/c1-12(15(17)18-2)7-6-10-14(16)19-11-13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3 |
| InChIKey |
BZVJOWYGHRETRX-UHFFFAOYSA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C(C(CCCC(=O)OCC=1C=CC=CC1)=C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97659 |
