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BUTYRIC ACID, 3-CHLORO-,
SpectraBase Compound ID 50TbqQlqRG3
InChI InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey XEEMVPPCXNTVNP-UHFFFAOYSA-N
Mol Weight 122.55 g/mol
Molecular Formula C4H7ClO2
Exact Mass 122.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B31xfIvcCOW
Name Butanoic acid, 3-chloro-
CAS Registry Number 1951-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7ClO2
InChI InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey XEEMVPPCXNTVNP-UHFFFAOYSA-N
Molecular Weight 122.551 g/mol
SMILES OC(CC(C)Cl)=O
SPLASH splash10-000l-9000000000-f400a21e83099ee32674
Source of Spectrum AA-0-497-3
Synonyms .beta.-Chlorobutyric acid 3-Chlorobutanoic acid 3-Chloranylbutanoic acid 3-Chloro-butyric acid 3-Chlorobutyric acid Butyric acid, 3-chloro- BRN 1720571 EINECS 217-771-6 NSC 404459
Wiley ID 1127686