| SpectraBase Spectrum ID |
2WsBuqk4GTd |
| Name |
Phthalic acid, di-(1-hexen-5-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.183109313 u |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-5-7-11-15(3)23-19(21)17-13-9-10-14-18(17)20(22)24-16(4)12-8-6-2/h5-6,9-10,13-16H,1-2,7-8,11-12H2,3-4H3 |
| InChIKey |
DTSSSGMZZNOCNU-UHFFFAOYSA-N |
| Molecular Weight |
330.424 g/mol |
| SMILES |
C(=O)(C1=CC=CC=C1C(OC(CCC=C)C)=O)OC(C)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871376 |
