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tert-Butyl 3-(1,3-diphenylprop-2-ynylidene)-2-oxoindoline-1-carboxylate
SpectraBase Compound ID 3I7jcytZnSV
InChI InChI=1S/C28H23NO3/c1-28(2,3)32-27(31)29-24-17-11-10-16-23(24)25(26(29)30)22(21-14-8-5-9-15-21)19-18-20-12-6-4-7-13-20/h4-17H,1-3H3
InChIKey RHKWKPGDYQBNPX-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C28H23NO3
Exact Mass 421.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaNCwg1FaqJ
Name tert-Butyl 3-(1,3-diphenylprop-2-ynylidene)-2-oxoindoline-1-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.167793602 u
Formula C28H23NO3
InChI InChI=1S/C28H23NO3/c1-28(2,3)32-27(31)29-24-17-11-10-16-23(24)25(26(29)30)22(21-14-8-5-9-15-21)19-18-20-12-6-4-7-13-20/h4-17H,1-3H3
InChIKey RHKWKPGDYQBNPX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802237
Molecular Weight 421.496 g/mol
Quality 87
SMILES C(OC(=O)N1C(C(C2=C1C=CC=C2)=C(C#CC1=CC=CC=C1)C1=CC=CC=C1)=O)(C)(C)C
SPLASH splash10-0ab9-9015000000-c5efa22614bbec86c569
Sample Comments E/Z = 62:38
Source of Spectrum QE-24-SM12-5m (DOI: 10.1002/chem.201802237)
Wiley ID 1901714