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7-[(sec-Butyl)oxy]-6-chloro-2,2-dimethyl-4-chromanone

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

7-[(sec-Butyl)oxy]-6-chloro-2,2-dimethyl-4-chromanone
SpectraBase Compound ID 8W3Qh5tmISZ
InChI InChI=1S/C15H19ClO3/c1-5-9(2)18-14-7-13-10(6-11(14)16)12(17)8-15(3,4)19-13/h6-7,9H,5,8H2,1-4H3
InChIKey WCZHNJGIJSBEFX-UHFFFAOYSA-N
Mol Weight 282.77 g/mol
Molecular Formula C15H19ClO3
Exact Mass 282.102272 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6xivAU8KzsP
Name 7-[(sec-Butyl)oxy]-6-chloro-2,2-dimethyl-4-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.102272169 u
Formula C15H19ClO3
InChI InChI=1S/C15H19ClO3/c1-5-9(2)18-14-7-13-10(6-11(14)16)12(17)8-15(3,4)19-13/h6-7,9H,5,8H2,1-4H3
InChIKey WCZHNJGIJSBEFX-UHFFFAOYSA-N
SMILES C1(CC(C=2C=C(C(=CC2O1)OC(CC)C)Cl)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885548