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N-Ethyl-tetahydrosolasodine

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Ethyl-tetahydrosolasodine
SpectraBase Compound ID BPXEgRKDDM7
InChI InChI=1S/C29H51NO2/c1-6-30-18-19(2)8-7-9-20(3)27-26(32)17-25-23-11-10-21-16-22(31)12-14-28(21,4)24(23)13-15-29(25,27)5/h10,19-20,22-27,30-32H,6-9,11-18H2,1-5H3
InChIKey VDIWCYYYNSGJCQ-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C29H51NO2
Exact Mass 445.39198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HT0lEjltvG9
Name N-Ethyl-tetahydrosolasodine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.391979884 u
Formula C29H51NO2
InChI InChI=1S/C29H51NO2/c1-6-30-18-19(2)8-7-9-20(3)27-26(32)17-25-23-11-10-21-16-22(31)12-14-28(21,4)24(23)13-15-29(25,27)5/h10,19-20,22-27,30-32H,6-9,11-18H2,1-5H3
InChIKey VDIWCYYYNSGJCQ-UHFFFAOYSA-N
Molecular Weight 445.732 g/mol
SMILES C1(O)CCC2(C)C(C1)=CCC1C3CC(O)C(C3(C)CCC21)C(CCCC(CNCC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908692