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2-(3S,6R)-3-Isopropyl-6-methylcyclohex-1-enyl)acetaldehyde

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

2-(3S,6R)-3-Isopropyl-6-methylcyclohex-1-enyl)acetaldehyde
SpectraBase Compound ID CkfKxNMCaWN
InChI InChI=1S/C12H20O/c1-9(2)11-5-4-10(3)12(8-11)6-7-13/h7-11H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKey VCCNUBRVJFUPPB-GHMZBOCLSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3xhvzJOpCGz
Name 2-(3S,6R)-3-Isopropyl-6-methylcyclohex-1-enyl)acetaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9(2)11-5-4-10(3)12(8-11)6-7-13/h7-11H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKey VCCNUBRVJFUPPB-GHMZBOCLSA-N
Molecular Weight 180.291 g/mol
SMILES C1=C([C@](C)(CC[C@]1(C(C)C)[H])[H])CC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966953