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1-Hydroxyspiro[5.6]dodecan-7-one isomer

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

1-Hydroxyspiro[5.6]dodecan-7-one isomer
SpectraBase Compound ID 7oKyYKhXWzS
InChI InChI=1S/C12H20O2/c13-10-6-2-1-4-8-12(10)9-5-3-7-11(12)14/h11,14H,1-9H2/t11-,12?/m0/s1
InChIKey RJZHUXBNIQQAAS-PXYINDEMSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ZT5AA9TDL1
Name 1-Hydroxyspiro[5.6]dodecan-7-one isomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c13-10-6-2-1-4-8-12(10)9-5-3-7-11(12)14/h11,14H,1-9H2/t11-,12?/m0/s1
InChIKey RJZHUXBNIQQAAS-PXYINDEMSA-N
Molecular Weight 196.290 g/mol
SMILES C12(C(=O)CCCCC2)[C@@](O)(CCCC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925575