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5-Amino-1-[1'-hydroxyimino-3'-phthalimidopropyl)]-3-(t-butyl)-1H-pyrazole
SpectraBase Compound ID 59FolIr8zeo
InChI InChI=1S/C18H21N5O3/c1-18(2,3)13-10-14(19)23(20-13)15(21-26)8-9-22-16(24)11-6-4-5-7-12(11)17(22)25/h4-7,10,26H,8-9,19H2,1-3H3/b21-15-
InChIKey NJULHEFQCMGTJE-QNGOZBTKSA-N
Mol Weight 355.4 g/mol
Molecular Formula C18H21N5O3
Exact Mass 355.16444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID khOqzu0RYB
Name 5-Amino-1-[1'-hydroxyimino-3'-phthalimidopropyl)]-3-(t-butyl)-1H-pyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H21N5O3
InChI InChI=1S/C18H21N5O3/c1-18(2,3)13-10-14(19)23(20-13)15(21-26)8-9-22-16(24)11-6-4-5-7-12(11)17(22)25/h4-7,10,26H,8-9,19H2,1-3H3/b21-15-
InChIKey NJULHEFQCMGTJE-QNGOZBTKSA-N
Molecular Weight 355.398 g/mol
SMILES Nc1cc(n[n]1\C(=N/O)CCN1C(c2ccccc2C1=O)=O)C(C)(C)C
SPLASH splash10-0002-0900000000-5e2918b1b4b5739d0d13
Source of Spectrum U-1994-1040-3
Wiley ID 766150