| SpectraBase Spectrum ID |
3jgA3vhCWzh |
| Name |
Dimethylmalonic acid, 2-naphthylmethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.151809184 u |
| Formula |
C19H22O4 |
| InChI |
InChI=1S/C19H22O4/c1-4-11-22-17(20)19(2,3)18(21)23-13-14-9-10-15-7-5-6-8-16(15)12-14/h5-10,12H,4,11,13H2,1-3H3 |
| InChIKey |
XMMQASJHRMLRBX-UHFFFAOYSA-N |
| Molecular Weight |
314.381 g/mol |
| SMILES |
C1=CC2=CC(COC(C(C(OCCC)=O)(C)C)=O)=CC=C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8484 |
