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2-(Hydroxymethyl)-6-methyl-1,4-cyclohexadiene-1-carboxylic acid lactone

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2-(Hydroxymethyl)-6-methyl-1,4-cyclohexadiene-1-carboxylic acid lactone
SpectraBase Compound ID 8N0k0bioPcA
InChI InChI=1S/C9H10O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-3,6H,4-5H2,1H3
InChIKey PAGPDJGZZZSZRF-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IK5dxXhx2L5
Name 2-(Hydroxymethyl)-6-methyl-1,4-cyclohexadiene-1-carboxylic acid lactone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-3,6H,4-5H2,1H3
InChIKey PAGPDJGZZZSZRF-UHFFFAOYSA-N
Molecular Weight 150.177 g/mol
SMILES C1=2C(OCC2CC=CC1C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81372