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(1S,5S,5ar) 1-Methyl-5-phenyl-2-oxabicyalo[4.3.0]nonane

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

(1S,5S,5ar) 1-Methyl-5-phenyl-2-oxabicyalo[4.3.0]nonane
SpectraBase Compound ID 7ekRpg5toRW
InChI InChI=1S/C15H18O/c1-15-10-5-8-14(15)13(9-11-16-15)12-6-3-2-4-7-12/h2-4,6-7,9,11,13-14H,5,8,10H2,1H3/t13-,14-,15-/m0/s1
InChIKey AOHKGDKXBWJXBE-KKUMJFAQSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBUViLLk6Br
Name (1S,5S,5ar) 1-Methyl-5-phenyl-2-oxabicyalo[4.3.0]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.135765199 u
Formula C15H18O
InChI InChI=1S/C15H18O/c1-15-10-5-8-14(15)13(9-11-16-15)12-6-3-2-4-7-12/h2-4,6-7,9,11,13-14H,5,8,10H2,1H3/t13-,14-,15-/m0/s1
InChIKey AOHKGDKXBWJXBE-KKUMJFAQSA-N
Molecular Weight 214.308 g/mol
SMILES [C@@]12([C@@](OC=C[C@]2(C2=CC=CC=C2)[H])(CCC1)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899885