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dimethyl (1R,2S,3R)-3-morpholino-5-vinyl-cyclohex-4-ene-1,2-dicarboxylate
SpectraBase Compound ID K92xRJLaIwO
InChI InChI=1S/C16H23NO5/c1-4-11-9-12(15(18)20-2)14(16(19)21-3)13(10-11)17-5-7-22-8-6-17/h4,10,12-14H,1,5-9H2,2-3H3/t12-,13-,14+/m1/s1
InChIKey PFZISHDPTOQSQA-MCIONIFRSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Lba6MDqmqP
Name dimethyl (1R,2S,3R)-3-morpholino-5-vinyl-cyclohex-4-ene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.157622840 u
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-4-11-9-12(15(18)20-2)14(16(19)21-3)13(10-11)17-5-7-22-8-6-17/h4,10,12-14H,1,5-9H2,2-3H3/t12-,13-,14+/m1/s1
InChIKey PFZISHDPTOQSQA-MCIONIFRSA-N
Instrument Name Agilent HP 6890 series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510925
Quality 12
Reported Formula C16H23NO5
SMILES C1=C(C[C@@](C(=O)OC)([C@](C(OC)=O)([C@@]1(N1CCOCC1)[H])[H])[H])C=C
SPLASH splash10-0pvi-0459000000-0903691c1bb084c63142
Sample Comments diastereomeric mixture (1:1)
Source of Spectrum ACI-55-SM22-3k-B (DOI: 10.1002/anie.201510925)
Thin-Layer Chromatography 0.21 (petrol/Et2O/Et3N, 60:40:1)
Wiley ID 1895404