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(R,S)-2-[(4-Allyloxyphenyl)methyl]-9a-methylhexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-1,7(8H)-dione
SpectraBase Compound ID 9h4Ft6wU9rx
InChI InChI=1S/C19H24N2O3/c1-3-13-24-16-7-5-15(6-8-16)14-20-11-4-12-21-17(22)9-10-19(21,2)18(20)23/h3,5-8H,1,4,9-14H2,2H3
InChIKey OECQOIAIFVBVMZ-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C19H24N2O3
Exact Mass 328.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7FsnMWB7tN
Name (R,S)-2-[(4-Allyloxyphenyl)methyl]-9a-methylhexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-1,7(8H)-dione
Appearance Oil
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Exact Mass 328.178692638 u
Formula C19H24N2O3
GC Oven Program Oven temp 260 oC
InChI InChI=1S/C19H24N2O3/c1-3-13-24-16-7-5-15(6-8-16)14-20-11-4-12-21-17(22)9-10-19(21,2)18(20)23/h3,5-8H,1,4,9-14H2,2H3
InChIKey OECQOIAIFVBVMZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801129
Molecular Weight 328.412 g/mol
Reported Formula C19H24N2O3
SMILES C12(N(C(CC2)=O)CCCN(C1=O)CC1=CC=C(C=C1)OCC=C)C
SPLASH splash10-001i-0900000000-ef15ad1f9b184576b5ba
Source of Spectrum K1-2018-5453-7c (DOI: 10.1002/ejoc.201801129)
Thin-Layer Chromatography 0.24 (AcOEt)
Wiley ID 1894329