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(1S,4S)-dimethyl 4-(N,N-diethylsulfamoyl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
SpectraBase Compound ID Eqwd4XZXOmQ
InChI InChI=1S/C13H18F3NO6S/c1-5-17(6-2)24(20,21)10-8(12(19)23-4)7(11(18)22-3)9(10)13(14,15)16/h8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKey BIKVSYXAGNAAAP-SCZZXKLOSA-N
Mol Weight 373.34 g/mol
Molecular Formula C13H18F3NO6S
Exact Mass 373.080693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvJ70PkRFU8
Name (1S,4S)-dimethyl 4-(N,N-diethylsulfamoyl)-3-(trifluoromethyl)cyclobut-2-ene-1,2-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18F3NO6S
InChI InChI=1S/C13H18F3NO6S/c1-5-17(6-2)24(20,21)10-8(12(19)23-4)7(11(18)22-3)9(10)13(14,15)16/h8,10H,5-6H2,1-4H3/t8-,10+/m1/s1
InChIKey BIKVSYXAGNAAAP-SCZZXKLOSA-N
Literature Reference DOI 10.1002/hc.21101
Molecular Weight 373.343 g/mol
SMILES C=1([C@]([C@](C(OC)=O)(C1C(OC)=O)[H])(S(N(CC)CC)(=O)=O)[H])C(F)(F)F
SPLASH splash10-0a4i-5590000000-cd56880449a096e27d1e
Source of Spectrum HAC-24-440-5a
Wiley ID 1776232