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(3R,7S,7aR)-7-Ethyl-5-oxo-3,7a-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
SpectraBase Compound ID EDcjXq8MFnA
InChI InChI=1S/C20H21NO2/c1-2-16-13-19(22)21-18(15-9-5-3-6-10-15)14-23-20(16,21)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3/t16-,18-,20+/m0/s1
InChIKey JMQSGFHXNJHVAI-XKGZKEIXSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DX1LKFipVd
Name (3R,7S,7aR)-7-Ethyl-5-oxo-3,7a-diphenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.157228918 u
Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-2-16-13-19(22)21-18(15-9-5-3-6-10-15)14-23-20(16,21)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3/t16-,18-,20+/m0/s1
InChIKey JMQSGFHXNJHVAI-XKGZKEIXSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.a09
Molecular Weight 307.393 g/mol
Optical Rotation [a]D22 = -44 (c = 0.5, CH2Cl2)
Quality 63
SMILES C1C(N2[C@]([C@]1(CC)[H])(OC[C@]2(C1=CC=CC=C1)[H])C1=CC=CC=C1)=O
SPLASH splash10-05fr-0982000000-36e145cd38208ca235ce
Source of Spectrum ARK-2003-79-10a (DOI: 10.3998/ark.5550190.0004.a09)
Wiley ID 1899680