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5H-Oxazolo[3,2-a]pyridine, 5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]hexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,8a.beta.)]-
SpectraBase Compound ID L18OpxFTmtF
InChI InChI=1S/C22H33NO3/c1-2-3-13-22(25-15-16-26-22)14-12-19-10-7-11-21-23(19)20(17-24-21)18-8-5-4-6-9-18/h4-6,8-9,19-21H,2-3,7,10-17H2,1H3/t19-,20+,21-/m1/s1
InChIKey IFEMOBOYOGBFRD-QHAWAJNXSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzSj2bCKFPs
Name 5H-Oxazolo[3,2-a]pyridine, 5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]hexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,8a.beta.)]-
CAS Registry Number 94458-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-2-3-13-22(25-15-16-26-22)14-12-19-10-7-11-21-23(19)20(17-24-21)18-8-5-4-6-9-18/h4-6,8-9,19-21H,2-3,7,10-17H2,1H3/t19-,20+,21-/m1/s1
InChIKey IFEMOBOYOGBFRD-QHAWAJNXSA-N
Molecular Weight 359.510 g/mol
SMILES [C@]1(N2[C@](OC1)(CCC[C@@]2(CCC1(OCCO1)CCCC)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0udi-0191000000-520b0dd6fd0c54d2c52b
Source of Spectrum J-50-672-4
Synonyms (3R,5R,8aR)-5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine
Wiley ID 1347872