| SpectraBase Compound ID | CgVqX1iP59d |
|---|---|
| InChI | InChI=1S/C47H71NO2/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35H,10-16,18,20,22,24,26,28,30,32,48H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ |
| InChIKey | YEIDXNITOOCRSF-LQOKPSQISA-N |
| Mol Weight | 682.1 g/mol |
| Molecular Formula | C47H71NO2 |
| Exact Mass | 681.548481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7J69jFPTP9f |
|---|---|
| Name | Benzoic acid, 4-amino-3-(3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl)-, (all-E)- |
| CAS Registry Number | 33569-81-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H71NO2 |
| InChI | InChI=1S/C47H71NO2/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35H,10-16,18,20,22,24,26,28,30,32,48H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ |
| InChIKey | YEIDXNITOOCRSF-LQOKPSQISA-N |
| Molecular Weight | 682.090 g/mol |
| SMILES | Nc1ccc(C(O)=O)cc1C\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C |
| SPLASH | splash10-0gb9-6920000000-3fad5cf603f36e922f50 |
| Source of Spectrum | AK-123-441-5 |
| Synonyms | 4-Amino-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaenyl]benzoic acid 3-Octaprenyl-4-aminobenzoic acid 4-Amino-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzoic acid 4-Azanyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzoic acid |
| Wiley ID | 1414377 |