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Pyrrolidine, 2-(methoxymethyl)-1-[[1-methyl-2-(phenylmethylene)cyclohexyl]carbonyl]-, [S-[R*,R*-(E)]]-
SpectraBase Compound ID GMVjypqUXGj
InChI InChI=1S/C21H29NO2/c1-21(20(23)22-14-8-12-19(22)16-24-2)13-7-6-11-18(21)15-17-9-4-3-5-10-17/h3-5,9-10,15,19H,6-8,11-14,16H2,1-2H3/b18-15+/t19-,21-/m0/s1
InChIKey XZGIKIRZSLPLAH-VNJZPOOUSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JneppmFziKJ
Name Pyrrolidine, 2-(methoxymethyl)-1-[[1-methyl-2-(phenylmethylene)cyclohexyl]carbonyl]-, [S-[R*,R*-(E)]]-
CAS Registry Number 134389-50-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-21(20(23)22-14-8-12-19(22)16-24-2)13-7-6-11-18(21)15-17-9-4-3-5-10-17/h3-5,9-10,15,19H,6-8,11-14,16H2,1-2H3/b18-15+/t19-,21-/m0/s1
InChIKey XZGIKIRZSLPLAH-VNJZPOOUSA-N
Molecular Weight 327.468 g/mol
SMILES C(N1[C@](COC)(CCC1)[H])([C@@]1(\C(=C\c2ccccc2)CCCC1)C)=O
SPLASH splash10-004i-0009000000-cfff0183c6d70d9fd6d6
Source of Spectrum C-113-4936-15
Synonyms ((2S)-1-{[(1S,2E)-2-benzylidene-1-methylcyclohexyl]carbonyl}pyrrolidinyl)methyl methyl ether (1S,2S,2'S)-2-(benzylidene)-1-methyl-1-[[2'-(methoxymethyl)pyrrolinyl]carbonyl]cyclohexane (2S)-1-{[(1S,2E)-2-benzylidene-1-methylcyclohexyl]carbonyl}-2-(methoxymethyl)pyrrolidine
Wiley ID 1325737