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1-(4-Isopropylbenzyl)-3-methylindolin-2-one
SpectraBase Compound ID JcVjf1hTN76
InChI InChI=1S/C19H21NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19(20)21/h4-11,13-14H,12H2,1-3H3
InChIKey VGBRNBGNWLNGNH-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4iihPe45ZEa
Name 1-(4-Isopropylbenzyl)-3-methylindolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.162314299 u
Formula C19H21NO
InChI InChI=1S/C19H21NO/c1-13(2)16-10-8-15(9-11-16)12-20-18-7-5-4-6-17(18)14(3)19(20)21/h4-11,13-14H,12H2,1-3H3
InChIKey VGBRNBGNWLNGNH-UHFFFAOYSA-N
SMILES C1(N(C2=C(C1C)C=CC=C2)CC1=CC=C(C=C1)C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815657