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2-t-Butyl-4-phenyl-octahydrocyclopenta[d][1,3]oxazine

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-t-Butyl-4-phenyl-octahydrocyclopenta[d][1,3]oxazine
SpectraBase Compound ID 6ajFrMAMx14
InChI InChI=1S/C17H25NO/c1-17(2,3)16-18-14-11-7-10-13(14)15(19-16)12-8-5-4-6-9-12/h4-6,8-9,13-16,18H,7,10-11H2,1-3H3
InChIKey AMKTUSOXAMWDFH-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNa2emSEytw
Name 2-T-Butyl-4-phenyl-octahydrocyclopenta[D][1,3]oxazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-17(2,3)16-18-14-11-7-10-13(14)15(19-16)12-8-5-4-6-9-12/h4-6,8-9,13-16,18H,7,10-11H2,1-3H3
InChIKey AMKTUSOXAMWDFH-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES CC(C)(C)C1NC2CCCC2C(O1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909148