Butanoic acid, 3,4-dichloro-, methyl ester
- Formula: C5H8Cl2O2
- Molecular weight: 171.022
- IUPAC Standard InChI: InChI=1S/C5H8Cl2O2/c1-9-5(8)2-4(7)3-6/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: DVXYQNCRDDPGKM-UHFFFAOYSA-N
- CAS Registry Number: 819-93-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methyl 3,4-dichlorobutanoate
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Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | ASES Database, Dalian Institute, P.R. China |
| NIST MS number | 145126 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 100. | 1055. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | OV-101 | 120. | 1046. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | OV-101 | 80. | 1054. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Haken and Korhonen, 1984
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXIV. Studies of chlorinated methyl propanoates and butanoates on a non-polar capillary column,
J. Chromatogr., 1984, 284, 474-477, https://doi.org/10.1016/S0021-9673(01)87849-3
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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