| SpectraBase Spectrum ID |
GLkwAMSEUX8 |
| Name |
Phthalic acid, ethyl 6-methylhept-2-yl 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/c1-5-21-17(19)15-11-6-7-12-16(15)18(20)22-14(4)10-8-9-13(2)3/h6-7,11-14H,5,8-10H2,1-4H3 |
| InChIKey |
GCCQYOBSVGUEIB-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859327 |
