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[(1'.alpha.,3'.alpha.,5'.alpha.,6'.alpha.)-6'-Methylbicyclo[3.1.0]hexan-3'-yl]acetaldehyde

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

[(1'.alpha.,3'.alpha.,5'.alpha.,6'.alpha.)-6'-Methylbicyclo[3.1.0]hexan-3'-yl]acetaldehyde
SpectraBase Compound ID LdbclsEvdBJ
InChI InChI=1S/C9H14O/c1-6-8-4-7(2-3-10)5-9(6)8/h3,6-9H,2,4-5H2,1H3/t6-,7+,8-,9+
InChIKey HAIGTKSGSNHYSR-SPJNRGJMSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1MAOL9HtSZ1
Name [(1'.alpha.,3'.alpha.,5'.alpha.,6'.alpha.)-6'-Methylbicyclo[3.1.0]hexan-3'-yl]acetaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 138.104465070 u
Formula C9H14O
InChI InChI=1S/C9H14O/c1-6-8-4-7(2-3-10)5-9(6)8/h3,6-9H,2,4-5H2,1H3/t6-,7+,8-,9+
InChIKey HAIGTKSGSNHYSR-SPJNRGJMSA-N
Molecular Weight 138.210 g/mol
SMILES [C@@]12([C@](C[C@](C2)(CC=O)[H])([H])[C@@]1(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894343