| SpectraBase Spectrum ID |
1kLZBCHr65o |
| Name |
4-Amino-3-(butyrylamino)phenyl (2E,4E,6E,8E)-[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.303893153 u |
| Formula |
C30H40N2O3 |
| InChI |
InChI=1S/C30H40N2O3/c1-7-10-28(33)32-26-20-24(31)15-17-27(26)35-29(34)19-22(3)12-8-11-21(2)14-16-25-23(4)13-9-18-30(25,5)6/h8,11-12,14-17,19-20H,7,9-10,13,18,31H2,1-6H3,(H,32,33)/b12-8+,16-14+,21-11+,22-19+ |
| InChIKey |
IVEJABHKAMSFEP-WTVVCSNPSA-N |
| Molecular Weight |
476.661 g/mol |
| SMILES |
C1(\C=C\C(=C\C=C\C(=C\C(OC2=C(NC(=O)CCC)C=C(C=C2)N)=O)C)C)=C(CCCC1(C)C)C |
