SpectraBase Compound ID | CrMTXISAK97 |
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InChI | InChI=1S/C18H25NO2/c1-14-7-9-15(10-8-14)18(20)21-13-16-5-4-12-19-11-3-2-6-17(16)19/h7-10,16-17H,2-6,11-13H2,1H3 |
InChIKey | YTVGUBSDSFLWKV-UHFFFAOYSA-N |
Mol Weight | 287.4 g/mol |
Molecular Formula | C18H25NO2 |
Exact Mass | 287.188529 g/mol |
SpectraBase Spectrum ID | Cej7sErxhYC |
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Name | 4-Methylbenzoic acid, (octahydroquinolizin-1-yl)methyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 287.188529047 u |
Formula | C18H25NO2 |
InChI | InChI=1S/C18H25NO2/c1-14-7-9-15(10-8-14)18(20)21-13-16-5-4-12-19-11-3-2-6-17(16)19/h7-10,16-17H,2-6,11-13H2,1H3 |
InChIKey | YTVGUBSDSFLWKV-UHFFFAOYSA-N |
Molecular Weight | 287.403 g/mol |
SMILES | C1CCN2C(C1)C(COC(=O)C=1C=CC(C)=CC1)CCC2 |