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2-(Ethoxycarbonyl)-1-(2-oxypentyl)-1,2-dihydroisoquinoline

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

2-(Ethoxycarbonyl)-1-(2-oxypentyl)-1,2-dihydroisoquinoline
SpectraBase Compound ID CSCs70lupRO
InChI InChI=1S/C17H21NO3/c1-3-7-14(19)12-16-15-9-6-5-8-13(15)10-11-18(16)17(20)21-4-2/h5-6,8-11,16H,3-4,7,12H2,1-2H3
InChIKey GNYKDQIGSVIDCM-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6qNcomfGQHn
Name 2-(Ethoxycarbonyl)-1-(2-oxypentyl)-1,2-dihydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.152143537 u
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-3-7-14(19)12-16-15-9-6-5-8-13(15)10-11-18(16)17(20)21-4-2/h5-6,8-11,16H,3-4,7,12H2,1-2H3
InChIKey GNYKDQIGSVIDCM-UHFFFAOYSA-N
SMILES C1(N(C=CC=2C=CC=CC12)C(=O)OCC)CC(=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945212