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2-N'-[(R)-5-fluoro-2-methyl-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinoline-(4E)-ylidene]hydrazino-2-oxo-N-((S)-1-phenylethyl)acetamide
SpectraBase Compound ID JMhfVNHPTmS
InChI InChI=1S/C30H27FN4O4S/c1-19-17-26(33-34-30(37)29(36)32-20(2)21-9-4-3-5-10-21)28-25(31)13-8-14-27(28)35(19)40(38,39)24-16-15-22-11-6-7-12-23(22)18-24/h3-16,18-20H,17H2,1-2H3,(H,32,36)(H,34,37)/b33-26+/t19-,20+/m1/s1
InChIKey GPQWFISLQYJTND-KGYQYLFMSA-N
Mol Weight 558.63 g/mol
Molecular Formula C30H27FN4O4S
Exact Mass 558.173705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aS6vWBuNaK
Name 2-N'-[(R)-5-fluoro-2-methyl-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinoline-(4E)-ylidene]hydrazino-2-oxo-N-((S)-1-phenylethyl)acetamide
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Formula C30H27FN4O4S
InChI InChI=1S/C30H27FN4O4S/c1-19-17-26(33-34-30(37)29(36)32-20(2)21-9-4-3-5-10-21)28-25(31)13-8-14-27(28)35(19)40(38,39)24-16-15-22-11-6-7-12-23(22)18-24/h3-16,18-20H,17H2,1-2H3,(H,32,36)(H,34,37)/b33-26+/t19-,20+/m1/s1
InChIKey GPQWFISLQYJTND-KGYQYLFMSA-N
Ionization Type EI
Molecular Weight 558.628 g/mol
SMILES N(\N=C\1c2c(N(S(=O)(=O)c3ccc4ccccc4c3)[C@@](C1)(C)[H])cccc2F)C(C(N[C@](c1ccccc1)(C)[H])=O)=O
SPLASH splash10-0bvi-0900200000-b6cbb42df556cb80953b
Source of Spectrum KR20100124020A
Wiley ID 1844052