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4-Methylbenzoic acid, (octahydroquinolizin-1-yl)methyl ester
SpectraBase Compound ID CrMTXISAK97
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwqDFrKE8WC
Name 4-Methylbenzoic acid, (octahydroquinolizin-1-yl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(C(COC(=O)c3ccc(cc3)C)CCC2)C1
SPLASH splash10-0udi-7900000000-01beb3f8c7c868a38b30
Synonyms 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-methylbenzoate 4-Methylbenzoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester 4-Methylbenzoic acid quinolizidin-1-ylmethyl ester Octahydro-2H-quinolizin-1-ylmethyl 4-methylbenzoate
Wiley ID 1444091