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tert-Butyl 2-oxo-3-(1-phenyl-3-(4-(pyrrolidin-1-yl)phenyl)prop-2-pynylidene)-indoline-1-carboxylate
SpectraBase Compound ID 7obiYuDonui
InChI InChI=1S/C32H30N2O3/c1-32(2,3)37-31(36)34-28-14-8-7-13-27(28)29(30(34)35)26(24-11-5-4-6-12-24)20-17-23-15-18-25(19-16-23)33-21-9-10-22-33/h4-8,11-16,18-19H,9-10,21-22H2,1-3H3
InChIKey VWGOHMVMNMLVJF-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C32H30N2O3
Exact Mass 490.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJjwTCeMlnx
Name tert-Butyl 2-oxo-3-(1-phenyl-3-(4-(pyrrolidin-1-yl)phenyl)prop-2-pynylidene)-indoline-1-carboxylate
Appearance Darkred fluorescent solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.225642831 u
Formula C32H30N2O3
InChI InChI=1S/C32H30N2O3/c1-32(2,3)37-31(36)34-28-14-8-7-13-27(28)29(30(34)35)26(24-11-5-4-6-12-24)20-17-23-15-18-25(19-16-23)33-21-9-10-22-33/h4-8,11-16,18-19H,9-10,21-22H2,1-3H3
InChIKey VWGOHMVMNMLVJF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802237
Molecular Weight 490.603 g/mol
Quality 39
SMILES C1(N(C=2C=CC=CC2C1=C(C#CC=1C=CC(=CC1)N1CCCC1)C=1C=CC=CC1)C(=O)OC(C)(C)C)=O
SPLASH splash10-0006-0309000000-ed1f283c32edd99f08d9
Sample Comments E/Z = 50:50
Source of Spectrum QE-24-SM14-5p (DOI: 10.1002/chem.201802237)
Wiley ID 1901717