| SpectraBase Spectrum ID |
BncifHYJ6wn |
| Name |
2-(1-Phenylpentyl)malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-4-7-13-15(14-11-9-8-10-12-14)16(17(19)21-5-2)18(20)22-6-3/h8-12,15-16H,4-7,13H2,1-3H3 |
| InChIKey |
KVRXSCFFVPWRKR-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)C(C1=CC=CC=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976636 |
