| SpectraBase Spectrum ID |
D2t6J5BbY0r |
| Name |
Dioctyl bis-para-carboxylic acid-di-T-butylstilbene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.449160408 u |
| Formula |
C40H60O4 |
| InChI |
InChI=1S/C40H60O4/c1-9-11-13-15-17-19-29-43-37(41)33-25-21-31(22-26-33)35(39(3,4)5)36(40(6,7)8)32-23-27-34(28-24-32)38(42)44-30-20-18-16-14-12-10-2/h21-28H,9-20,29-30H2,1-8H3/b36-35+ |
| InChIKey |
QTAZAYSFYIRYEL-ULDVOPSXSA-N |
| Molecular Weight |
604.916 g/mol |
| SMILES |
C(\C(=C\(C(C)(C)C)C=1C=CC(C(=O)OCCCCCCCC)=CC1)C1=CC=C(C(=O)OCCCCCCCC)C=C1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812344 |
