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(R,S)-2-[4-(Benzyloxy)phenethyl]-9a-methylhexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-1,7(8H)-dione
SpectraBase Compound ID 89QYJwCiqXQ
InChI InChI=1S/C24H28N2O3/c1-24-14-12-22(27)26(24)16-5-15-25(23(24)28)17-13-19-8-10-21(11-9-19)29-18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3
InChIKey PZYHLPKCXWKSHY-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C24H28N2O3
Exact Mass 392.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GT3IgSKcc2
Name (R,S)-2-[4-(Benzyloxy)phenethyl]-9a-methylhexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-1,7(8H)-dione
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.209992767 u
Formula C24H28N2O3
GC Oven Program Oven temp 260 oC
InChI InChI=1S/C24H28N2O3/c1-24-14-12-22(27)26(24)16-5-15-25(23(24)28)17-13-19-8-10-21(11-9-19)29-18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3
InChIKey PZYHLPKCXWKSHY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801129
Molecular Weight 392.499 g/mol
Quality 35
Reported Formula C24H28N2O3
SMILES C12(N(C(CC2)=O)CCCN(C1=O)CCC1=CC=C(C=C1)OCC1=CC=CC=C1)C
SPLASH splash10-0006-9000000000-4b25789b5880ad670989
Source of Spectrum K1-2018-5452-7a (DOI: 10.1002/ejoc.201801129)
Thin-Layer Chromatography 0.47 (CH2Cl2/AcOEt/MeOH, 47.5:47.5:5)
Wiley ID 1894327