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2-Butyne-1,4-diol, bis(o-chlorocarbanilate)

View entire compound with spectra: 2 NMR, and 1 FTIR

2-Butyne-1,4-diol, bis(o-chlorocarbanilate)
SpectraBase Compound ID 6Mf4oqMXOYY
InChI InChI=1S/C18H14Cl2N2O4/c19-13-7-1-3-9-15(13)21-17(23)25-11-5-6-12-26-18(24)22-16-10-4-2-8-14(16)20/h1-4,7-10H,11-12H2,(H,21,23)(H,22,24)
InChIKey HXPBTWGINPGHPR-UHFFFAOYSA-N
Mol Weight 393.23 g/mol
Molecular Formula C18H14Cl2N2O4
Exact Mass 392.033062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pxB4JPKBFe
Name 2-Butyne-1,4-diol, bis(o-chlorocarbanilate)
Comments Computed using HOSE algorithm
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Exact Mass 392.033062335 u
Formula C18H14Cl2N2O4
InChI InChI=1S/C18H14Cl2N2O4/c19-13-7-1-3-9-15(13)21-17(23)25-11-5-6-12-26-18(24)22-16-10-4-2-8-14(16)20/h1-4,7-10H,11-12H2,(H,21,23)(H,22,24)
InChIKey HXPBTWGINPGHPR-UHFFFAOYSA-N
Molecular Weight 393.226 g/mol
SMILES N(C1=C(C=CC=C1)Cl)C(OCC#CCOC(NC=1C(=CC=CC1)Cl)=O)=O