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10-Endo-hydroxy-10-exo-methyltetracyclo[6.3.0.0(1,5).0(4,6)]undec-2-ene
SpectraBase Compound ID 3rQZp0IXYLg
InChI InChI=1S/C12H16O/c1-11(13)5-7-4-9-8-2-3-12(7,6-11)10(8)9/h2-3,7-10,13H,4-6H2,1H3
InChIKey BMVGZWVMYJYKSI-UHFFFAOYSA-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 IhDJclFW2yS
Name 10-Endo-hydroxy-10-exo-methyltetracyclo[6.3.0.0(1,5).0(4,6)]undec-2-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/c1-11(13)5-7-4-9-8-2-3-12(7,6-11)10(8)9/h2-3,7-10,13H,4-6H2,1H3
InChIKey BMVGZWVMYJYKSI-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C12C34C(CC(C4)(O)C)CC1C2C=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83497