![3-Methyl-2S-[trans-4-(trans-4-propylcyclohexyl)cyclohexylcarboxamido]butanoic acid](/api/spectrum/u1HmBqCG7R/structure.png?h=300&w=458 "3-Methyl-2S-[trans-4-(trans-4-propylcyclohexyl)cyclohexylcarboxamido]butanoic acid")
| SpectraBase Compound ID | 9WV4Au8lOyW |
|---|---|
| InChI | InChI=1S/C21H37NO3/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19(14(2)3)21(24)25/h14-19H,4-13H2,1-3H3,(H,22,23)(H,24,25)/t15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | OMLOEHQEFQGHJN-VMXHOPILSA-N |
| Mol Weight | 351.5 g/mol |
| Molecular Formula | C21H37NO3 |
| Exact Mass | 351.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | u1HmBqCG7R |
|---|---|
| Name | 3-Methyl-2S-[trans-4-(trans-4-propylcyclohexyl)cyclohexylcarboxamido]butanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H37NO3 |
| InChI | InChI=1S/C21H37NO3/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19(14(2)3)21(24)25/h14-19H,4-13H2,1-3H3,(H,22,23)(H,24,25)/t15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | OMLOEHQEFQGHJN-VMXHOPILSA-N |
| Molecular Weight | 351.531 g/mol |
| SMILES | N(C([C@]1(CC[C@@](CC1)([C@]1(CC[C@@](CC1)(CCC)[H])[H])[H])[H])=O)[C@](C(=O)O)(C(C)C)[H] |
| SPLASH | splash10-014i-0932000000-3376c485e902ead7f9df |
| Source of Spectrum | Y1-45-6672-23 |
| Wiley ID | 1622109 |