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9-Acetamidomethyl-1-phenyl-3,6-diazahomoadamantan-9-ol

View entire compound with spectra: 1 FTIR

9-Acetamidomethyl-1-phenyl-3,6-diazahomoadamantan-9-ol
SpectraBase Compound ID 3aKIgHcTLID
InChI InChI=1S/C18H25N3O2/c1-14(22)19-11-18(23)16-9-20-7-8-21(10-16)13-17(18,12-20)15-5-3-2-4-6-15/h2-6,16,23H,7-13H2,1H3,(H,19,22)/t16-,17+,18?
InChIKey UPFAAHDROSAUNC-JWTNVVGKSA-N
Mol Weight 315.42 g/mol
Molecular Formula C18H25N3O2
Exact Mass 315.194677 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LnbgK3Z4Fho
Name 9-Acetamidomethyl-1-phenyl-3,6-diazahomoadamantan-9-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.194677055 u
Formula C18H25N3O2
InChI InChI=1S/C18H25N3O2/c1-14(22)19-11-18(23)16-9-20-7-8-21(10-16)13-17(18,12-20)15-5-3-2-4-6-15/h2-6,16,23H,7-13H2,1H3,(H,19,22)/t16-,17+,18?
InChIKey UPFAAHDROSAUNC-JWTNVVGKSA-N
Molecular Weight 315.417 g/mol
SMILES C1N2CCN3C[C@]1(C([C@@](C3)(C2)[H])(CNC(=O)C)O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966097