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3-Isochromanone

View entire compound with spectra: 7 NMR, 7 FTIR, 1 Raman, and 4 MS (GC)

3-Isochromanone
SpectraBase Compound ID 4v7XVtB8Osk
InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3yqDH7jc9i3
Name 3-Isochromanone
Source of Sample Aldrich
Catalog Number 359351
CAS Registry Number 4385-35-7
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2
InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Mull
Wiley ID SIAL_FTIR_1_7225