| SpectraBase Compound ID | Akjyde0tFsC |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-12-9-14-11-13(2)15(5-6-17(21)22-3)18(14,7-4-8-19)16(20)10-12/h12,14-15H,2,4-7,9-11H2,1,3H3/t12-,14+,15+,18+/m1/s1 |
| InChIKey | ZJPYZQYEQVJFJH-FHIHXZLISA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzSt8TVPlc8 |
|---|---|
| Name | 1H-Indene-1-propanoic acid, 7a-(2-cyanoethyl)octahydro-5-methyl-2-methylene-7-oxo-, methyl ester, (1.alpha.,3a.alpha.,5.alpha.,7a.alph a.)-(.+-.)- |
| CAS Registry Number | 103498-92-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-12-9-14-11-13(2)15(5-6-17(21)22-3)18(14,7-4-8-19)16(20)10-12/h12,14-15H,2,4-7,9-11H2,1,3H3/t12-,14+,15+,18+/m1/s1 |
| InChIKey | ZJPYZQYEQVJFJH-FHIHXZLISA-N |
| Molecular Weight | 303.402 g/mol |
| SMILES | [C@]12(C(C[C@@](C[C@]2(CC([C@@]1(CCC(=O)OC)[H])=C)[H])(C)[H])=O)CCC#N |
| SPLASH | splash10-0pbc-2921000000-a655b77fdcbdb7beeb45 |
| Source of Spectrum | J-54-1558-25 |
| Synonyms | Methyl 3-[(1S,3aS,5R,7aS)-7a-(2-cyanoethyl)-5-methyl-2-methylene-7-oxooctahydro-1H-inden-1-yl]propanoate 3-[(1S,3aS,5R,7aS)-7a-(2-cyanoethyl)-5-methyl-2-methylene-7-oxo-1,3,3a,4,5,6-hexahydroinden-1-yl]propanoic acid methyl ester Methyl 3-[(1S,3aS,5R,7aS)-7a-(2-cyanoethyl)-5-methyl-2-methylidene-7-oxo-1,3,3a,4,5,6-hexahydroinden-1-yl]propanoate Methyl 3-[(1S,3aS,5R,7aS)-7a-(2-cyanoethyl)-5-methyl-2-methylene-7-oxo-1,3,3a,4,5,6-hexahydroinden-1-yl]propanoate Methyl 3-[(1S,3aS,5R,7aS)-7a-(2-cyanoethyl)-5-methyl-2-methylidene-7-oxidanylidene-1,3,3a,4,5,6-hexahydroinden-1-yl]propanoate |
| Wiley ID | 1305729 |