Debug Info

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_id
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32gn5LGnaca
spectrumID
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32gn5LGnaca
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Mass Spectrum (GC)
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methyl 3-[4-[3-chloro-1-(2-chloroethyl)propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SpectraBase Compound ID BCxj1qIFW8R
InChI InChI=1S/C17H20Cl2F3NO3/c1-26-15(24)14(23-16(25)17(20,21)22)10-11-2-4-12(5-3-11)13(6-8-18)7-9-19/h2-5,13-14H,6-10H2,1H3,(H,23,25)
InChIKey SFESICXUCUYUQI-UHFFFAOYSA-N
Mol Weight 414.25 g/mol
Molecular Formula C17H20Cl2F3NO3
Exact Mass 413.077233 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32gn5LGnaca
Name methyl 3-[4-[3-chloro-1-(2-chloroethyl)propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl2F3NO3
InChI InChI=1S/C17H20Cl2F3NO3/c1-26-15(24)14(23-16(25)17(20,21)22)10-11-2-4-12(5-3-11)13(6-8-18)7-9-19/h2-5,13-14H,6-10H2,1H3,(H,23,25)
InChIKey SFESICXUCUYUQI-UHFFFAOYSA-N
Instrument Name Fisons Trio-2A quadrupole
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhrc.1240201215
Molecular Weight 414.252 g/mol
Quality 70
SMILES N(C(CC1=CC=C(C=C1)C(CCCl)CCCl)C(OC)=O)C(C(F)(F)F)=O
SPLASH splash10-001i-0491000000-55cd57023ab7d1255088
Source of Spectrum HRC-20-699-Figure 3 c (DOI: 10.1002/jhrc.1240201215)
Wiley ID 1910883
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