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2H-Oxocin, 3,4,7,8-tetrahydro-, (Z)-
SpectraBase Compound ID DxcHVZ4Bx7C
InChI InChI=1S/C7H12O/c1-2-4-6-8-7-5-3-1/h1-2H,3-7H2/b2-1-
InChIKey RFFXHXVPTVMXRY-UPHRSURJSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6T46D61Ltih
Name 2H-Oxocin, 3,4,7,8-tetrahydro-, (Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 112.088815005 u
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-4-6-8-7-5-3-1/h1-2H,3-7H2/b2-1-
InChIKey RFFXHXVPTVMXRY-UPHRSURJSA-N
Molecular Weight 112.172 g/mol
SMILES C1OCCC\C=C/C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932036