| SpectraBase Compound ID | 9CkB1jbU7pj |
|---|---|
| InChI | InChI=1S/C30H39NO4/c1-7-10-28(32)35-27-20-24(31)15-17-26(27)34-29(33)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/b12-8+,16-14+,21-11+,22-19+ |
| InChIKey | SMFHKTJSYRIDSW-WTVVCSNPSA-N |
| Mol Weight | 477.6 g/mol |
| Molecular Formula | C30H39NO4 |
| Exact Mass | 477.287909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FEVf8Qbpzl5 |
|---|---|
| Name | 4-Amino-3-(butyryloxy)phenyl (2E,4E,6E,8E)-[3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate |
| Alternate Name(s) | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [4-amino-2-(1-oxobutoxy)phenyl] ester (4-amino-2-butanoyloxyphenyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate (4-amino-2-butanoyloxy-phenyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate (4-azanyl-2-butanoyloxy-phenyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H39NO4 |
| InChI | InChI=1S/C30H39NO4/c1-7-10-28(32)35-27-20-24(31)15-17-26(27)34-29(33)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/b12-8+,16-14+,21-11+,22-19+ |
| InChIKey | SMFHKTJSYRIDSW-WTVVCSNPSA-N |
| Molecular Weight | 477.645 g/mol |
| SMILES | Nc1ccc(c(OC(=O)CCC)c1)OC(\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)=O |
| SPLASH | splash10-004i-0031900000-f5ea913cabb559555704 |
| Source of Spectrum | E2-52-505-4 |
| Wiley ID | 1556399 |