SpectraBase Spectrum ID |
VzM20d4AQC |
Name |
Phthalic acid, di(5-methylhex-2-yl) ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
362.245709571 u |
Formula |
C22H34O4 |
InChI |
InChI=1S/C22H34O4/c1-15(2)11-13-17(5)25-21(23)19-9-7-8-10-20(19)22(24)26-18(6)14-12-16(3)4/h7-10,15-18H,11-14H2,1-6H3 |
InChIKey |
QMGNAIMYJBQARN-UHFFFAOYSA-N |
Molecular Weight |
362.510 g/mol |
SMILES |
C1=CC=CC(=C1C(OC(C)CCC(C)C)=O)C(OC(C)CCC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959946 |