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3-([(E)-(4,5-Dimethoxy-2-nitrophenyl)methylidene]amino)benzonitrile
SpectraBase Compound ID IO9vYnHL7Gt
InChI InChI=1S/C16H13N3O4/c1-22-15-7-12(14(19(20)21)8-16(15)23-2)10-18-13-5-3-4-11(6-13)9-17/h3-8,10H,1-2H3/b18-10+
InChIKey WJBJMZKRCSRSAO-VCHYOVAHSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H13N3O4
Exact Mass 311.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eJ9ONfcMFD
Name 3-([(E)-(4,5-Dimethoxy-2-nitrophenyl)methylidene]amino)benzonitrile
Alternate Name(s) Benzonitrile, 3-(3,4-dimethoxy-6-nitrobenzylidenamino)-
CAS Registry Number 303769-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O4
InChI InChI=1S/C16H13N3O4/c1-22-15-7-12(14(19(20)21)8-16(15)23-2)10-18-13-5-3-4-11(6-13)9-17/h3-8,10H,1-2H3/b18-10+
InChIKey WJBJMZKRCSRSAO-VCHYOVAHSA-N
Molecular Weight 311.297 g/mol
SMILES c1c(c(cc(c1OC)OC)\C=N\c1cccc(c1)C#N)N(=O)=O
SPLASH splash10-0f6x-6890000000-446f991ec88f179b4ffa
Source of Spectrum AD-0-2532-0
Wiley ID 1427897