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2-[2-(methoxymethyl)pyrrolidin-1-yl]-3-{2-[2-(4-methylcyclohex-3-en-1-yl)propyl]}cyclopent-2-en-1-one
SpectraBase Compound ID IRg1AkWHdtu
InChI InChI=1S/C21H33NO2/c1-15-6-8-17(9-7-15)16(2)13-18-10-11-20(23)21(18)22-12-4-5-19(22)14-24-3/h6,16-17,19H,4-5,7-14H2,1-3H3
InChIKey JHWPVOJOGLTBLB-UHFFFAOYSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F00GsNingd
Name 2-[2-(methoxymethyl)pyrrolidin-1-yl]-3-{2-[2-(4-methylcyclohex-3-en-1-yl)propyl]}cyclopent-2-en-1-one
Appearance Pale yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO2
GC Oven Program Oven temp 320oC, Split injector
InChI InChI=1S/C21H33NO2/c1-15-6-8-17(9-7-15)16(2)13-18-10-11-20(23)21(18)22-12-4-5-19(22)14-24-3/h6,16-17,19H,4-5,7-14H2,1-3H3
InChIKey JHWPVOJOGLTBLB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 331.500 g/mol
SMILES COCC1N(CCC1)C=1C(CCC1CC(C)C1CC=C(CC1)C)=O
SPLASH splash10-000i-2390000000-b4cdfe424322487b7493
Source of Spectrum EP3628658A1
Thin-Layer Chromatography Rf = 0.19 (10 % EtOAc/hexane, 1% Et3N)
Wiley ID 1877223