| SpectraBase Spectrum ID |
KYDOD2ViR2s |
| Name |
Dimethyl 2-benzylpentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-17-13(15)9-8-12(14(16)18-2)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3 |
| InChIKey |
XGNJDLAUPJEVHV-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C(C(CCC(=O)OC)CC=1C=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940744 |
