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9-Amino-1-(4-hydroxyphenylmethyl)-3,6-diazahomoadamantane

View entire compound with spectra: 1 FTIR

9-Amino-1-(4-hydroxyphenylmethyl)-3,6-diazahomoadamantane
SpectraBase Compound ID C7d8Mte6edV
InChI InChI=1S/C16H23N3O/c17-15-13-8-18-5-6-19(9-13)11-16(15,10-18)7-12-1-3-14(20)4-2-12/h1-4,13,15,20H,5-11,17H2/t13-,15?,16+
InChIKey PWXDEGHQOSJXLS-FFRZMKHHSA-N
Mol Weight 273.38 g/mol
Molecular Formula C16H23N3O
Exact Mass 273.184112 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9S0DtmAQThK
Name 9-Amino-1-(4-hydroxyphenylmethyl)-3,6-diazahomoadamantane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.184112372 u
Formula C16H23N3O
InChI InChI=1S/C16H23N3O/c17-15-13-8-18-5-6-19(9-13)11-16(15,10-18)7-12-1-3-14(20)4-2-12/h1-4,13,15,20H,5-11,17H2/t13-,15?,16+
InChIKey PWXDEGHQOSJXLS-FFRZMKHHSA-N
SMILES C1N2CCN3C[C@]1(C([C@@](C3)(C2)CC1=CC=C(C=C1)O)N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93942