| SpectraBase Spectrum ID |
HlR4praLSsz |
| Name |
Phthalic acid, methyl neopentyl ester |
| 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/c1-14(2,3)9-18-13(16)11-8-6-5-7-10(11)12(15)17-4/h5-8H,9H2,1-4H3 |
| InChIKey |
LJBHDCZOMUACDL-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
CC(C)(C)COC(=O)C1=C(C=CC=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829617 |
