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4,4,7A-Trimethyl-3A,5,6,7-tetrahydro-3H-indene-1-carboxylic acid

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4,4,7A-Trimethyl-3A,5,6,7-tetrahydro-3H-indene-1-carboxylic acid
SpectraBase Compound ID 8e0Ak5sLVY9
InChI InChI=1S/C13H20O2/c1-12(2)7-4-8-13(3)9(11(14)15)5-6-10(12)13/h5,10H,4,6-8H2,1-3H3,(H,14,15)
InChIKey ACQRUPZAAPLQQP-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5HsvHCCdSdg
Name 4,4,7A-Trimethyl-3A,5,6,7-tetrahydro-3H-indene-1-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-12(2)7-4-8-13(3)9(11(14)15)5-6-10(12)13/h5,10H,4,6-8H2,1-3H3,(H,14,15)
InChIKey ACQRUPZAAPLQQP-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1CC(C2C(C1)(C(C(=O)O)=CC2)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941697