| SpectraBase Spectrum ID |
DSGiUstc7hY |
| Name |
Phthalic acid, 6-methylhept-2-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-25-34-30(32)28-23-17-18-24-29(28)31(33)35-27(4)22-20-21-26(2)3/h17-18,23-24,26-27H,5-16,19-22,25H2,1-4H3 |
| InChIKey |
HPBXSZRLDKMOON-UHFFFAOYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87032 |
