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3-[(2E)-2-[2-keto-2-(p-tolyl)ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid
SpectraBase Compound ID 1KD2UhdFYxq
InChI InChI=1S/C18H23NO3/c1-13-4-6-14(7-5-13)16(20)10-15-11-18(2,3)12-19(15)9-8-17(21)22/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b15-10+
InChIKey XPRSCSLDQKSEHL-XNTDXEJSSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6di7pEd7xP
Name 3-[(2E)-2-[2-keto-2-(p-tolyl)ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-13-4-6-14(7-5-13)16(20)10-15-11-18(2,3)12-19(15)9-8-17(21)22/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b15-10+
InChIKey XPRSCSLDQKSEHL-XNTDXEJSSA-N
Molecular Weight 301.386 g/mol
SMILES OC(CCN1\C(=C\C(c2ccc(cc2)C)=O)CC(C)(C)C1)=O
SPLASH splash10-014i-1291000000-92a2002e6e1d4de681d4
Source of Spectrum D8-330-80-4
Synonyms 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]propanoic acid 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]propanoic acid 3-[(2E)-4,4-dimethyl-2-[2-oxo-2-(p-tolyl)ethylidene]pyrrolidin-1-yl]propanoic acid
Wiley ID 1516357