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7-Butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester

View entire compound with spectra: 1 MS (GC)

7-Butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 1aoexms3Vr
InChI InChI=1S/C18H25NO2/c1-2-3-12-17-13-8-5-9-14-19(17)18(20)21-15-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14-15H2,1H3
InChIKey KLRJFFNHBFBQEG-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 B2CW4NIKQTO
Name 7-Butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-2-3-12-17-13-8-5-9-14-19(17)18(20)21-15-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14-15H2,1H3
InChIKey KLRJFFNHBFBQEG-UHFFFAOYSA-N
Molecular Weight 287.403 g/mol
SMILES C1N(C(=CCCC1)CCCC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-8447efafab368212c661
Source of Spectrum J-66-2465-37
Synonyms (phenylmethyl) 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester benzyl 7-butyl-2,3,4,5-tetrahydroazepine-1-carboxylate
Wiley ID 1534963