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Hexahydro-5-acetonyl-8a-pentyl-3-phenyl-5H-oxazolo[3,2-a]pyridine
SpectraBase Compound ID 2t9RVrfELN8
InChI InChI=1S/C21H31NO2/c1-3-4-8-13-21-14-9-12-19(15-17(2)23)22(21)20(16-24-21)18-10-6-5-7-11-18/h5-7,10-11,19-20H,3-4,8-9,12-16H2,1-2H3
InChIKey XFHGWCZKNUOVMP-UHFFFAOYSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59DwdA4q1KL
Name Hexahydro-5-acetonyl-8a-pentyl-3-phenyl-5H-oxazolo[3,2-a]pyridine
CAS Registry Number 141879-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-3-4-8-13-21-14-9-12-19(15-17(2)23)22(21)20(16-24-21)18-10-6-5-7-11-18/h5-7,10-11,19-20H,3-4,8-9,12-16H2,1-2H3
InChIKey XFHGWCZKNUOVMP-UHFFFAOYSA-N
Molecular Weight 329.484 g/mol
SMILES C12(N(C(CO2)c2ccccc2)C(CCC1)CC(=O)C)CCCCC
SPLASH splash10-0pb9-0190000000-6c7f481cd49bbf9d0d0c
Source of Spectrum J-57-4214-22
Synonyms 1-(8a-pentyl-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-yl)acetone
Wiley ID 1327284