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Methyl 3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
SpectraBase Compound ID DyOiqT3MSR0
InChI InChI=1S/C13H15NO2/c1-9-8-14-12(11(9)13(15)16-2)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKey ZBBUBJJCYIOTSS-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4NiJnofleS
Name Methyl 3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-8-14-12(11(9)13(15)16-2)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3
InChIKey ZBBUBJJCYIOTSS-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 217.268 g/mol
SMILES COC(=O)C1C(C)C=NC1c1ccccc1
SPLASH splash10-00kf-9500000000-4a7a5dbed1dba6d1faeb
Source of Spectrum SRH-2022-10279-0
Synonyms Methyl (3r,4r,5r)-3-methyl-5-phenyl-1-pyrroline-4-carboxylate
Wiley ID 1831898