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Bicyclo[2.2.1]hept-5-en-2-one, 3-(1-methylethyl)-, endo-(.+-.)-
SpectraBase Compound ID 2uCA5cHtr5u
InChI InChI=1S/C10H14O/c1-6(2)9-7-3-4-8(5-7)10(9)11/h3-4,6-9H,5H2,1-2H3/t7-,8+,9?/m0/s1
InChIKey WXPNHUIXKUYPDV-ZQTLJVIJSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9h4lVqrtSvX
Name Bicyclo[2.2.1]hept-5-en-2-one, 3-(1-methylethyl)-, endo-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 150.104465070 u
Formula C10H14O
InChI InChI=1S/C10H14O/c1-6(2)9-7-3-4-8(5-7)10(9)11/h3-4,6-9H,5H2,1-2H3/t7-,8+,9?/m0/s1
InChIKey WXPNHUIXKUYPDV-ZQTLJVIJSA-N
Molecular Weight 150.221 g/mol
SMILES C1(C([C@@]2(C[C@]1(C=C2)[H])[H])C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90647