| SpectraBase Spectrum ID |
2lMhUMnEJ8i |
| Name |
Adipic acid, ethyl 2-tert-butylphenyl 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/c1-5-21-16(19)12-8-9-13-17(20)22-15-11-7-6-10-14(15)18(2,3)4/h6-7,10-11H,5,8-9,12-13H2,1-4H3 |
| InChIKey |
RFBCBIAVLBJBBC-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(=O)(CCCCC(OCC)=O)OC1=CC=CC=C1C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849723 |
