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1,4a-Dimethyl-6-hydroxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
SpectraBase Compound ID IxlBCSTmIce
InChI InChI=1S/C12H18O2/c1-8-10-4-3-9(13)7-12(10,2)6-5-11(8)14/h9,13H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKey VMCISHXOCUKLMZ-BXKDBHETSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1DUSNHrmLo
Name 1,4A-Dimethyl-6-hydroxy-4,4A,5,6,7,8-hexahydro-2(3H)-naphthalenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-10-4-3-9(13)7-12(10,2)6-5-11(8)14/h9,13H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKey VMCISHXOCUKLMZ-BXKDBHETSA-N
Molecular Weight 194.274 g/mol
SMILES C=12[C@@](C[C@@](CC2)(O)[H])(CCC(C1C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971402