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1(3H)-Isobenzofuranone, 6-[2-(acetyloxy)ethyl]-5,7-dimethyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1(3H)-Isobenzofuranone, 6-[2-(acetyloxy)ethyl]-5,7-dimethyl-
SpectraBase Compound ID 1Chup6j5RLG
InChI InChI=1S/C14H16O4/c1-8-6-11-7-18-14(16)13(11)9(2)12(8)4-5-17-10(3)15/h6H,4-5,7H2,1-3H3
InChIKey ALDMOAJTAHVYRK-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 803k6pYgca1
Name 1(3H)-Isobenzofuranone, 6-[2-(acetyloxy)ethyl]-5,7-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-8-6-11-7-18-14(16)13(11)9(2)12(8)4-5-17-10(3)15/h6H,4-5,7H2,1-3H3
InChIKey ALDMOAJTAHVYRK-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES C=1(C2=C(COC2=O)C=C(C1CCOC(=O)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932519