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2-Pentenal, 4-nitro-5-phenyl-4-(phenylmethyl)-, (E)-
SpectraBase Compound ID 38mOudeyLhZ
InChI InChI=1S/C18H17NO3/c20-13-7-12-18(19(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2/b12-7+
InChIKey DDGXTRSEPQEKRJ-KPKJPENVSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HbjYTdOuKV
Name 2-Pentenal, 4-nitro-5-phenyl-4-(phenylmethyl)-, (E)-
Alternate Name(s) (2E)-4-benzyl-4-nitro-5-phenyl-2-pentenal (E)-4-Benzyl-4-nitro-5-phenylpent-2-enal
CAS Registry Number 114090-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c20-13-7-12-18(19(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2/b12-7+
InChIKey DDGXTRSEPQEKRJ-KPKJPENVSA-N
Molecular Weight 295.338 g/mol
SMILES C(N(=O)=O)(\C=C\C=O)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0006-9300000000-d3eca8f4df699a1f2d58
Source of Spectrum KC-1987-2039-0
Wiley ID 1298322