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(5-Oxo-1,3a,4,5,6,6a-hexahydropentalen-1-yl)-acetaldehyde

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(5-Oxo-1,3a,4,5,6,6a-hexahydropentalen-1-yl)-acetaldehyde
SpectraBase Compound ID B0pG19qQXPg
InChI InChI=1S/C10H12O2/c11-4-3-7-1-2-8-5-9(12)6-10(7)8/h1-2,4,7-8,10H,3,5-6H2
InChIKey PHAITKLCFLKKTF-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6MnXcaBgR87
Name (5-oxo-1,3A,4,5,6,6A-Hexahydropentalen-1-yl)-acetaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c11-4-3-7-1-2-8-5-9(12)6-10(7)8/h1-2,4,7-8,10H,3,5-6H2
InChIKey PHAITKLCFLKKTF-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES C(=O)CC1C2CC(=O)CC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828984