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5-([(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylidene]amino)-2,3-dihydro-1,4-phthalazinedione
SpectraBase Compound ID 46fQqPC8BEn
InChI InChI=1S/C16H10N4O6/c21-15-9-2-1-3-10(14(9)16(22)19-18-15)17-6-8-4-12-13(26-7-25-12)5-11(8)20(23)24/h1-6H,7H2,(H,18,21)(H,19,22)/b17-6+
InChIKey YVGHLVUELXNRSR-UBKPWBPPSA-N
Mol Weight 354.28 g/mol
Molecular Formula C16H10N4O6
Exact Mass 354.060034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLS5LvuOe3f
Name 5-([(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylidene]amino)-2,3-dihydro-1,4-phthalazinedione
CAS Registry Number 339248-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N4O6
InChI InChI=1S/C16H10N4O6/c21-15-9-2-1-3-10(14(9)16(22)19-18-15)17-6-8-4-12-13(26-7-25-12)5-11(8)20(23)24/h1-6H,7H2,(H,18,21)(H,19,22)/b17-6+
InChIKey YVGHLVUELXNRSR-UBKPWBPPSA-N
Molecular Weight 354.278 g/mol
SMILES N1C(c2cccc(c2C(N1)=O)\N=C\c1cc2c(cc1N(=O)=O)OCO2)=O
SPLASH splash10-02dl-9600000000-944f0bf6a57c77541a25
Source of Spectrum AD-0-2532-0
Synonyms Phthalazine-1,4(2H,3H)-dione, 5-(3,4-methylenedioxy-6-nitrobenzylidenamino)-
Wiley ID 1426173