| SpectraBase Spectrum ID |
HSkpQKWMo8u |
| Name |
(S)-N-(p-(2,4,6-Triisopropylbenzoyl)benzoyl)-L-phenylalanine methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
513.287908736 u |
| Formula |
C33H39NO4 |
| InChI |
InChI=1S/C33H39NO4/c1-20(2)26-18-27(21(3)4)30(28(19-26)22(5)6)31(35)24-13-15-25(16-14-24)32(36)34-29(33(37)38-7)17-23-11-9-8-10-12-23/h8-16,18-22,29H,17H2,1-7H3,(H,34,36)/t29-/m0/s1 |
| InChIKey |
LWZRNAQCPBYQJE-LJAQVGFWSA-N |
| Molecular Weight |
513.678 g/mol |
| SMILES |
C=1(C(=CC(=CC1C(C)C)C(C)C)C(C)C)C(C=1C=CC(C(N[C@](C(=O)OC)(CC=2C=CC=CC2)[H])=O)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96016 |
