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3-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-(4-methoxyphenyl)furan-2(5H)-one
SpectraBase Compound ID 7OCemJxHp1E
InChI InChI=1S/C19H16ClN5O3/c1-27-14-8-2-11(3-9-14)16-10-15(17(26)28-16)22-19-23-18(21)25(24-19)13-6-4-12(20)5-7-13/h2-10,16H,1H3,(H3,21,22,23,24)
InChIKey VCRBKUXYRXMMBK-UHFFFAOYSA-N
Mol Weight 397.82 g/mol
Molecular Formula C19H16ClN5O3
Exact Mass 397.094167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3TnpSIJZgL
Name 3-[5-Amino-1-(4-chlorophenyl)-1H-1,2,4-triazol-3-ylamino]-5-(4-methoxyphenyl)furan-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN5O3
InChI InChI=1S/C19H16ClN5O3/c1-27-14-8-2-11(3-9-14)16-10-15(17(26)28-16)22-19-23-18(21)25(24-19)13-6-4-12(20)5-7-13/h2-10,16H,1H3,(H3,21,22,23,24)
InChIKey VCRBKUXYRXMMBK-UHFFFAOYSA-N
Molecular Weight 397.822 g/mol
SMILES N(C=1C(OC(C1)c1ccc(cc1)OC)=O)c1nc([n](n1)-c1ccc(cc1)Cl)N
SPLASH splash10-0udi-0903000000-192fe6f846d2effa7e8c
Source of Spectrum F4-43-1122-11b
Wiley ID 1675440