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6H-Chromene-4,5-dione, 2-butyl-3-ethyl-7,7-dimethyl-7,8-dihydro-

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

6H-Chromene-4,5-dione, 2-butyl-3-ethyl-7,7-dimethyl-7,8-dihydro-
SpectraBase Compound ID 5qNSCDbQDnk
InChI InChI=1S/C17H24O3/c1-5-7-8-13-11(6-2)16(19)15-12(18)9-17(3,4)10-14(15)20-13/h5-10H2,1-4H3
InChIKey ACWMMNXVMASROF-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GuARUQXswju
Name 6H-Chromene-4,5-dione, 2-butyl-3-ethyl-7,7-dimethyl-7,8-dihydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.172544630 u
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-5-7-8-13-11(6-2)16(19)15-12(18)9-17(3,4)10-14(15)20-13/h5-10H2,1-4H3
InChIKey ACWMMNXVMASROF-UHFFFAOYSA-N
SMILES C1=2C(C(CC)=C(OC2CC(CC1=O)(C)C)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811151