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7-Acetyl-9-methylene-trans-bicyclo[4.3.0]non-7-ene
SpectraBase Compound ID LsK6TN9tX53
InChI InChI=1S/C12H16O/c1-8-7-12(9(2)13)11-6-4-3-5-10(8)11/h7,10-11H,1,3-6H2,2H3/t10-,11+/m1/s1
InChIKey ZKTXINXAKXJELN-MNOVXSKESA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID rfdCuPsVvj
Name 7-Acetyl-9-methylene-trans-bicyclo[4.3.0]non-7-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-7-12(9(2)13)11-6-4-3-5-10(8)11/h7,10-11H,1,3-6H2,2H3/t10-,11+/m1/s1
InChIKey ZKTXINXAKXJELN-MNOVXSKESA-N
Molecular Weight 176.259 g/mol
SMILES C1(=CC(=C)[C@@]2([C@@]1(CCCC2)[H])[H])C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908828