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2-Formyl-3-(1-oxopentyl)bicyclo[2.2.1]hept-5-ene

View entire compound with spectra: 1 FTIR

2-Formyl-3-(1-oxopentyl)bicyclo[2.2.1]hept-5-ene
SpectraBase Compound ID JXKw6jjC200
InChI InChI=1S/C13H18O2/c1-2-3-4-12(15)13-10-6-5-9(7-10)11(13)8-14/h5-6,8-11,13H,2-4,7H2,1H3/t9-,10-,11?,13?/m0/s1
InChIKey LWCQCIVZQVROSI-QKIYJJFGSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lZ2e3nGCU9
Name 2-Formyl-3-(1-oxopentyl)bicyclo[2.2.1]hept-5-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-4-12(15)13-10-6-5-9(7-10)11(13)8-14/h5-6,8-11,13H,2-4,7H2,1H3/t9-,10-,11?,13?/m0/s1
InChIKey LWCQCIVZQVROSI-QKIYJJFGSA-N
Molecular Weight 206.285 g/mol
SMILES [C@@]12(C(C(C=O)[C@](C2)(C=C1)[H])C(=O)CCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828558