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3-Benzyloxycarbonyl-4,7-dimethyl-3H-indol-2(3H)-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Benzyloxycarbonyl-4,7-dimethyl-3H-indol-2(3H)-one
SpectraBase Compound ID BfhkLEHRijD
InChI InChI=1S/C18H17NO3/c1-11-8-9-12(2)16-15(11)17(18(21)19-16)22-14(20)10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,19,21)
InChIKey VQLXLVYRYJYOTH-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DXeJr8eFKB2
Name 3-Benzyloxycarbonyl-4,7-dimethyl-3H-indol-2(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-11-8-9-12(2)16-15(11)17(18(21)19-16)22-14(20)10-13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3,(H,19,21)
InChIKey VQLXLVYRYJYOTH-UHFFFAOYSA-N
SMILES C1=2NC(C(C2C(=CC=C1C)C)OC(=O)CC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887591