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N-Acetyl-S-(1',2'-dichloro-1',2'-difluoroethyl)-L-cysteine Methyl Ester
SpectraBase Compound ID 7IF8rF8TXGf
InChI InChI=1S/C8H11Cl2F2NO3S/c1-4(14)13-5(6(15)16-2)3-17-8(10,12)7(9)11/h5,7H,3H2,1-2H3,(H,13,14)/t5-,7?,8?/m0/s1
InChIKey IPXPPXDAJMBRPR-JADALISFSA-N
Mol Weight 310.14 g/mol
Molecular Formula C8H11Cl2F2NO3S
Exact Mass 308.980476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41Mx8pBOLpC
Name N-Acetyl-S-(1',2'-dichloro-1',2'-difluoroethyl)-L-cysteine Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11Cl2F2NO3S
InChI InChI=1S/C8H11Cl2F2NO3S/c1-4(14)13-5(6(15)16-2)3-17-8(10,12)7(9)11/h5,7H,3H2,1-2H3,(H,13,14)/t5-,7?,8?/m0/s1
InChIKey IPXPPXDAJMBRPR-JADALISFSA-N
Molecular Weight 310.143 g/mol
SMILES N([C@@](CSC(C(Cl)F)(F)Cl)(C(=O)OC)[H])C(=O)C
SPLASH splash10-000f-9310000000-08f174d4f1352c2d63ba
Source of Spectrum CRT-9-1094-A
Wiley ID 1709562