| SpectraBase Spectrum ID |
FO2enfkyLMk |
| Name |
Phenylalanine, N-(3,5-dinitrobenzoyl)-, 10-undecen-1-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.231850408 u |
| Formula |
C27H33N3O7 |
| InChI |
InChI=1S/C27H33N3O7/c1-2-3-4-5-6-7-8-9-13-16-37-27(32)25(17-21-14-11-10-12-15-21)28-26(31)22-18-23(29(33)34)20-24(19-22)30(35)36/h2,10-12,14-15,18-20,25H,1,3-9,13,16-17H2,(H,28,31) |
| InChIKey |
HQVFRKKKNRGXTD-UHFFFAOYSA-N |
| Molecular Weight |
511.575 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C(NC(C(=O)OCCCCCCCCCC=C)CC2=CC=CC=C2)=O)=CC(=C1)N(=O)=O |
