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2-Butenoic acid, 4-[3-acetyl-1,4-bis(acetyoloxy)-2-naphthalenyl]-, methyl ester, (E)-
SpectraBase Compound ID B3vHVRaOT6N
InChI InChI=1S/C21H20O7/c1-12(22)19-17(10-7-11-18(25)26-4)20(27-13(2)23)15-8-5-6-9-16(15)21(19)28-14(3)24/h5-9,11H,10H2,1-4H3/b11-7+
InChIKey CNKRAVUTEVZARI-YRNVUSSQSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5irgqDTuXGs
Name 2-Butenoic acid, 4-[3-acetyl-1,4-bis(acetyoloxy)-2-naphthalenyl]-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-4-[3-acetyl-1,4-bis(acetyloxy)-2-naphthyl]-2-butenoate
CAS Registry Number 99668-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-12(22)19-17(10-7-11-18(25)26-4)20(27-13(2)23)15-8-5-6-9-16(15)21(19)28-14(3)24/h5-9,11H,10H2,1-4H3/b11-7+
InChIKey CNKRAVUTEVZARI-YRNVUSSQSA-N
Molecular Weight 384.384 g/mol
SMILES c1(c(c2ccccc2c(c1C\C=C\C(=O)OC)OC(=O)C)OC(=O)C)C(=O)C
SPLASH splash10-0ufr-0096000000-d9cb5b8d074979793413
Source of Spectrum J-51-356-43
Wiley ID 1361515