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Colchiethanamine

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

Colchiethanamine
SpectraBase Compound ID TOtstIVHLo
InChI InChI=1S/C19H23NO3/c1-20-10-9-14-11-18(22)19(23-2)12-16(14)17(20)8-5-13-3-6-15(21)7-4-13/h3-4,6-7,11-12,17,21-22H,5,8-10H2,1-2H3/t17-/m0/s1
InChIKey IVZAZZKOQHAJCF-KRWDZBQOSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LQNzYs4fa1k
Name Colchiethanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.167793602 u
Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-20-10-9-14-11-18(22)19(23-2)12-16(14)17(20)8-5-13-3-6-15(21)7-4-13/h3-4,6-7,11-12,17,21-22H,5,8-10H2,1-2H3/t17-/m0/s1
InChIKey IVZAZZKOQHAJCF-KRWDZBQOSA-N
Molecular Weight 313.397 g/mol
SMILES C=12[C@@](N(C)CCC2=CC(=C(C1)OC)O)(CCC1=CC=C(C=C1)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956062