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7-( Benzyloxy)-6-chloro-2,2-dimethyl-4-chromanone

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

7-( Benzyloxy)-6-chloro-2,2-dimethyl-4-chromanone
SpectraBase Compound ID LUwlrOl5DZV
InChI InChI=1S/C18H17ClO3/c1-18(2)10-15(20)13-8-14(19)17(9-16(13)22-18)21-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKey PZZPYEAXUJSLHP-UHFFFAOYSA-N
Mol Weight 316.78 g/mol
Molecular Formula C18H17ClO3
Exact Mass 316.086622 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FeD7FO50jpi
Name 7-( Benzyloxy)-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 316.086622104 u
Formula C18H17ClO3
InChI InChI=1S/C18H17ClO3/c1-18(2)10-15(20)13-8-14(19)17(9-16(13)22-18)21-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKey PZZPYEAXUJSLHP-UHFFFAOYSA-N
Molecular Weight 316.784 g/mol
SMILES C1(CC(C=2C=C(C(=CC2O1)OCC=1C=CC=CC1)Cl)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829634