| SpectraBase Spectrum ID |
4ANyZetjETD |
| Name |
Dimethyl 2,5-dimethyl-3-phenylhexandioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-11(15(17)19-3)10-14(12(2)16(18)20-4)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3 |
| InChIKey |
MYUCPNTWCCZLDR-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(C(C(CC(C(=O)OC)C)C=1C=CC=CC1)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941741 |
