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5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, 5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]hexahydro-3-phenyl-, [3R-(3.alpha.,5.beta.,8a.beta.)]-

View entire compound with spectra: 1 MS (GC)

5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, 5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]hexahydro-3-phenyl-, [3R-(3.alpha.,5.beta.,8a.beta.)]-
SpectraBase Compound ID 3BAIazmFxFW
InChI InChI=1S/C23H32N2O3/c1-2-3-12-23(27-15-16-28-23)14-13-22(18-24)11-7-10-21-25(22)20(17-26-21)19-8-5-4-6-9-19/h4-6,8-9,20-21H,2-3,7,10-17H2,1H3/t20-,21+,22+/m0/s1
InChIKey SFGWMOKIZNCGPE-BHDDXSALSA-N
Mol Weight 384.5 g/mol
Molecular Formula C23H32N2O3
Exact Mass 384.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Era2ZIhYOAY
Name 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, 5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]hexahydro-3-phenyl-, [3R-(3.alpha.,5.beta.,8a.beta.)]-
CAS Registry Number 94458-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O3
InChI InChI=1S/C23H32N2O3/c1-2-3-12-23(27-15-16-28-23)14-13-22(18-24)11-7-10-21-25(22)20(17-26-21)19-8-5-4-6-9-19/h4-6,8-9,20-21H,2-3,7,10-17H2,1H3/t20-,21+,22+/m0/s1
InChIKey SFGWMOKIZNCGPE-BHDDXSALSA-N
Molecular Weight 384.520 g/mol
SMILES [C@]1(N2[C@](OC1)(CCC[C@]2(C#N)CCC1(OCCO1)CCCC)[H])(c1ccccc1)[H]
SPLASH splash10-0fb9-0920000000-c6496f3983b43d759454
Source of Spectrum J-50-672-3
Synonyms (3R,5R,8aR)-5-[2-(2-butyl-1,3-dioxolan-2-yl)ethyl]-3-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
Wiley ID 1361750