Debug Info

object
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_id
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8grzJ41JhpF
spectrumID
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8grzJ41JhpF
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131072
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Mass Spectrum (GC)
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2-(6-Nitro-1,3-benzodioxol-5-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
SpectraBase Compound ID HdBX5S86KQA
InChI InChI=1S/C21H15N3O5/c25-21-14-8-4-5-9-16(14)22-20(23(21)13-6-2-1-3-7-13)15-10-18-19(29-12-28-18)11-17(15)24(26)27/h1-11,20,22H,12H2
InChIKey REXLDFGVCFKFPF-UHFFFAOYSA-N
Mol Weight 389.37 g/mol
Molecular Formula C21H15N3O5
Exact Mass 389.101171 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8grzJ41JhpF
Name 2-(6-nitro-1,3-benzodioxol-5-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O5
InChI InChI=1S/C21H15N3O5/c25-21-14-8-4-5-9-16(14)22-20(23(21)13-6-2-1-3-7-13)15-10-18-19(29-12-28-18)11-17(15)24(26)27/h1-11,20,22H,12H2
InChIKey REXLDFGVCFKFPF-UHFFFAOYSA-N
Molecular Weight 389.367 g/mol
SMILES N1c2c(C(N(C1c1c(N(=O)=O)cc3c(c1)OCO3)c1ccccc1)=O)cccc2
SPLASH splash10-00di-7945000000-a9c33dbb40f42cf95597
Wiley ID 1452072
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