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13-[(2,6-Dimethylphenylamino)methyl]tricyclo [8.2. 2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SpectraBase Compound ID DslEWAFupQr
InChI InChI=1S/C25H27NO/c1-17-4-3-5-18(2)25(17)26-16-23-14-19-6-7-20-9-11-22(24(27)15-20)13-12-21(23)10-8-19/h3-5,8-11,14-15,26-27H,6-7,12-13,16H2,1-2H3
InChIKey LXVUKCXOPHACAK-UHFFFAOYSA-N
Mol Weight 357.5 g/mol
Molecular Formula C25H27NO
Exact Mass 357.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JvhlF4wREmi
Name 13-[(2,6-Dimethylphenylamino)methyl]tricyclo [8.2. 2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.209264492 u
Formula C25H27NO
InChI InChI=1S/C25H27NO/c1-17-4-3-5-18(2)25(17)26-16-23-14-19-6-7-20-9-11-22(24(27)15-20)13-12-21(23)10-8-19/h3-5,8-11,14-15,26-27H,6-7,12-13,16H2,1-2H3
InChIKey LXVUKCXOPHACAK-UHFFFAOYSA-N
Molecular Weight 357.497 g/mol
SMILES C1=CC2=CC(=C1CCC=1C=CC(CC2)=CC1CNC1=C(C=CC=C1C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935454