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2-Benzyl-1-(3-phthalimidopropyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID B0zSlpJSF4z
InChI InChI=1S/C25H20N4O5/c30-23-19-9-4-5-10-20(19)24(31)26(23)13-6-14-27-22-12-11-18(29(33)34)15-21(22)25(32)28(27)16-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2
InChIKey HZAQJSPGIPPOJA-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C25H20N4O5
Exact Mass 456.14337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HksbthWts
Name 2-Benzyl-1-(3-phthalimidopropyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
Alternate Name(s) 2-(3-(2-benzyl-5-nitro-3-oxo-2,3-dihydro-1H-indazol-1-yl)propyl)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N4O5
InChI InChI=1S/C25H20N4O5/c30-23-19-9-4-5-10-20(19)24(31)26(23)13-6-14-27-22-12-11-18(29(33)34)15-21(22)25(32)28(27)16-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2
InChIKey HZAQJSPGIPPOJA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201800084
Molecular Weight 456.458 g/mol
SMILES c1c2C(=O)N(CCCN3c4ccc([N+]([O-])=O)cc4C(=O)N3Cc3ccccc3)C(=O)c2ccc1
SPLASH splash10-0bti-0900700000-52ceac33055ec93a5fe5
Source of Spectrum CMC-13-1254-13
Wiley ID 1812815