| SpectraBase Spectrum ID |
K0pqkUN68Fj |
| Name |
Isophthalic acid, dineopentyl 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/c1-17(2,3)11-21-15(19)13-8-7-9-14(10-13)16(20)22-12-18(4,5)6/h7-10H,11-12H2,1-6H3 |
| InChIKey |
WYEHFCKMWFUROQ-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CC(C)(C)COC(C=1C=C(C(OCC(C)(C)C)=O)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974086 |
