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3-(2,2,4-Trimethylcyclohex-3-enyl)prop-2-enoic acid

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3-(2,2,4-Trimethylcyclohex-3-enyl)prop-2-enoic acid
SpectraBase Compound ID JaWHTVJxwIE
InChI InChI=1S/C12H18O2/c1-9-4-5-10(6-7-11(13)14)12(2,3)8-9/h6-8,10H,4-5H2,1-3H3,(H,13,14)/b7-6+
InChIKey IWPGRMPCSHXQHE-VOTSOKGWSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CQN2JsMAK07
Name 3-(2,2,4-Trimethylcyclohex-3-enyl)prop-2-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-4-5-10(6-7-11(13)14)12(2,3)8-9/h6-8,10H,4-5H2,1-3H3,(H,13,14)/b7-6+
InChIKey IWPGRMPCSHXQHE-VOTSOKGWSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=CC(C(CC1)\C=C\C(O)=O)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927512