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(-)-o-benzyl-N-ethylnorcaryachine

View entire compound with spectra: 1 FTIR

(-)-o-benzyl-N-ethylnorcaryachine
SpectraBase Compound ID EW8zLGgnRlW
InChI InChI=1S/C27H27NO4/c1-3-28-22-9-18-11-24(29-2)26(30-15-17-7-5-4-6-8-17)13-20(18)23(28)10-19-12-25-27(14-21(19)22)32-16-31-25/h4-8,11-14,22-23H,3,9-10,15-16H2,1-2H3/t22-,23-/m0/s1
InChIKey FFUFBBIZNJFOFO-GOTSBHOMSA-N
Mol Weight 429.52 g/mol
Molecular Formula C27H27NO4
Exact Mass 429.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2DTdZUdup3p
Name (-)-o-benzyl-N-ethylnorcaryachine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.194008349 u
Formula C27H27NO4
InChI InChI=1S/C27H27NO4/c1-3-28-22-9-18-11-24(29-2)26(30-15-17-7-5-4-6-8-17)13-20(18)23(28)10-19-12-25-27(14-21(19)22)32-16-31-25/h4-8,11-14,22-23H,3,9-10,15-16H2,1-2H3/t22-,23-/m0/s1
InChIKey FFUFBBIZNJFOFO-GOTSBHOMSA-N
Molecular Weight 429.516 g/mol
SMILES [C@@]12(N([C@@](CC=3C=C4OCOC4=CC23)(C2=C(C=C(C(=C2)OCC=2C=CC=CC2)OC)C1)[H])CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881911