| SpectraBase Spectrum ID |
EtW814YMtOJ |
| Name |
Isophthalic acid, hept-2-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.370910086 u |
| Formula |
C30H50O4 |
| InChI |
InChI=1S/C30H50O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-24-33-29(31)27-22-20-23-28(25-27)30(32)34-26(3)21-18-7-5-2/h20,22-23,25-26H,4-19,21,24H2,1-3H3 |
| InChIKey |
UGWJKGPXPGGOPB-UHFFFAOYSA-N |
| Molecular Weight |
474.726 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822472 |
