| SpectraBase Spectrum ID |
wJvl0Fxc4p |
| Name |
Phthalic acid, 6-methylhept-2-yl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-5-6-7-8-9-10-11-12-15-21-30-26(28)24-19-13-14-20-25(24)27(29)31-23(4)18-16-17-22(2)3/h13-14,19-20,22-23H,5-12,15-18,21H2,1-4H3 |
| InChIKey |
UUYHGTCDUTZBSR-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903943 |
