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3-(L'-Methylbutylidene)-4,5-dihydrophthalide

View entire compound with spectra: 1 FTIR

3-(L'-Methylbutylidene)-4,5-dihydrophthalide
SpectraBase Compound ID LPY8wpFfBsL
InChI InChI=1S/C13H16O2/c1-3-6-9(2)12-10-7-4-5-8-11(10)13(14)15-12/h5,8H,3-4,6-7H2,1-2H3/b12-9-
InChIKey TYJJIDFBPXLFOJ-XFXZXTDPSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 42utHre5jkj
Name 3-(L'-Methylbutylidene)-4,5-dihydrophthalide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-6-9(2)12-10-7-4-5-8-11(10)13(14)15-12/h5,8H,3-4,6-7H2,1-2H3/b12-9-
InChIKey TYJJIDFBPXLFOJ-XFXZXTDPSA-N
Molecular Weight 204.269 g/mol
SMILES C1=2C=CCCC2\C(=C/(C)CCC)OC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85322