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1-(1,3-Benzodioxol-5-yl)-2-chloro-1-ethanone
SpectraBase Compound ID FItN0HpT9Hv
InChI InChI=1S/C9H7ClO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3H,4-5H2
InChIKey BXFOLSYNIOADPQ-UHFFFAOYSA-N
Mol Weight 198.6 g/mol
Molecular Formula C9H7ClO3
Exact Mass 198.008372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OkQilTxdJO
Name 1-(1,3-Benzodioxol-5-yl)-2-chloro-1-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7ClO3
InChI InChI=1S/C9H7ClO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3H,4-5H2
InChIKey BXFOLSYNIOADPQ-UHFFFAOYSA-N
Molecular Weight 198.605 g/mol
SMILES C(CCl)(=O)c1cc2OCOc2cc1
SPLASH splash10-000x-8900000000-bbfce7f4132f96b80631
Source of Spectrum KD-15-2618-4
Synonyms 1-(1,3-benzodioxol-5-yl)-2-chloranyl-ethanone 1-(1,3-benzodioxol-5-yl)-2-chloro-ethanone
Wiley ID 1637230