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5-Chloro-1-indanone

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

5-Chloro-1-indanone
SpectraBase Compound ID kyGRbU9OT9
InChI InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey MEDSHTHCZIOVPU-UHFFFAOYSA-N
Mol Weight 166.61 g/mol
Molecular Formula C9H7ClO
Exact Mass 166.018543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ijo1AqQ0ywr
Name 5-Chloro-1-indanone
Alternate Name(s) 1-Indanone, 5-chloro- 1H-Inden-1-one, 5-chloro-2,3-dihydro- 5-Chloranyl-2,3-dihydroinden-1-one 5-Chloro-2,3-dihydro-1H-inden-1-one 5-Chloro-2,3-dihydroinden-1-one 5-Chloroindan-1-one
CAS Registry Number 42348-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7ClO
InChI InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey MEDSHTHCZIOVPU-UHFFFAOYSA-N
Molecular Weight 166.607 g/mol
SMILES c12c(cc(cc2)Cl)CCC1=O
SPLASH splash10-0gb9-5900000000-96926e21cb7d4a5b0947
Source of Spectrum AD-0-2532-0
Wiley ID 1432009