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_id
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CJPh8rgYi0C
spectrumID
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CJPh8rgYi0C
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Mass Spectrum (GC)
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Dimethyl 3-(3-phenylpropiolamido)-6-ethylcyclohexa-1,4-diene-1,2-dicarboxylate
SpectraBase Compound ID CuD0aszlujZ
InChI InChI=1S/C21H21NO5/c1-4-15-11-12-16(19(21(25)27-3)18(15)20(24)26-2)22-17(23)13-10-14-8-6-5-7-9-14/h5-9,11-12,15-16H,4H2,1-3H3,(H,22,23)
InChIKey ZBKUYYZJXVVXFE-UHFFFAOYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJPh8rgYi0C
Name Dimethyl 3-(3-phenylpropiolamido)-6-ethylcyclohexa-1,4-diene-1,2-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-4-15-11-12-16(19(21(25)27-3)18(15)20(24)26-2)22-17(23)13-10-14-8-6-5-7-9-14/h5-9,11-12,15-16H,4H2,1-3H3,(H,22,23)
InChIKey ZBKUYYZJXVVXFE-UHFFFAOYSA-N
Molecular Weight 367.401 g/mol
SMILES N(C1C(=C(C(=O)OC)C(CC)C=C1)C(=O)OC)C(C#Cc1ccccc1)=O
SPLASH splash10-002r-0790000000-f4c07f45dc123d1d1ca2
Source of Spectrum KC-61-11341-11
Synonyms Dimethyl 3-ethyl-6-[(3-phenyl-2-propynoyl)amino]-1,4-cyclohexadiene-1,2-dicarboxylate
Wiley ID 1631334
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