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4-Acetoxy-4-(2-benzylcarbamoylethyl)-2-methoxycyclohexa-2,5-dienone
SpectraBase Compound ID IGrhfcEUiVZ
InChI InChI=1S/C19H21NO5/c1-14(21)25-19(10-8-16(22)17(12-19)24-2)11-9-18(23)20-13-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)
InChIKey SSSXZHNPQDWNNM-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvuoJLLFkDX
Name 4-Acetoxy-4-(2-benzylcarbamoylethyl)-2-methoxycyclohexa-2,5-dienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-14(21)25-19(10-8-16(22)17(12-19)24-2)11-9-18(23)20-13-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)
InChIKey SSSXZHNPQDWNNM-UHFFFAOYSA-N
Molecular Weight 343.379 g/mol
SMILES N(C(CCC1(C=C(C(C=C1)=O)OC)OC(=O)C)=O)Cc1ccccc1
SPLASH splash10-000l-7980000000-9e94636ed17b43061d89
Source of Spectrum J-67-3433-9
Synonyms 1-[3-(benzylamino)-3-oxopropyl]-3-methoxy-4-oxo-2,5-cyclohexadien-1-yl acetate Acetic acid [3-methoxy-4-oxo-1-[3-oxo-3-[(phenylmethyl)amino]propyl]-1-cyclohexa-2,5-dienyl] ester [1-[3-(benzylamino)-3-oxopropyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl] acetate [1-[3-(benzylamino)-3-oxo-propyl]-3-methoxy-4-oxo-cyclohexa-2,5-dien-1-yl] acetate [3-methoxy-4-oxidanylidene-1-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]cyclohexa-2,5-dien-1-yl] ethanoate
Wiley ID 1569874