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Ethyl (3R,7S,7aS)-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole-7-acetate
SpectraBase Compound ID 3glIXHfgRiF
InChI InChI=1S/C16H19NO4/c1-2-20-15(19)9-12-8-14(18)17-13(10-21-16(12)17)11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3/t12-,13-,16-/m0/s1
InChIKey GRVCAJMEEWGLIG-XEZPLFJOSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvGZqLQqsMu
Name Ethyl (3R,7S,7aS)-5-oxo-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole-7-acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.131408092 u
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-2-20-15(19)9-12-8-14(18)17-13(10-21-16(12)17)11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3/t12-,13-,16-/m0/s1
InChIKey GRVCAJMEEWGLIG-XEZPLFJOSA-N
Instrument Name Hewlett-Packard 5988A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.a09
Optical Rotation [a]D22 = -85 (c = 0.8, CHCl3)
Quality 84
SMILES C1C(N2[C@]([C@@]1(CC(OCC)=O)[H])(OC[C@]2(C1=CC=CC=C1)[H])[H])=O
SPLASH splash10-05fu-0940000000-3f8c77314290f185ff49
Source of Spectrum ARK-2003-79-13b (DOI: 10.3998/ark.5550190.0004.a09)
Wiley ID 1899682