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2-Butenoic acid, 4-(1,2,3,4-tetrahydro-1-hydroxy-1-triphenylenyl)-, methyl ester, (E)-(.+-.)-
SpectraBase Compound ID 4NNFoYNYtWG
InChI InChI=1S/C23H22O3/c1-26-21(24)13-7-15-23(25)14-6-12-20-18-9-3-2-8-16(18)17-10-4-5-11-19(17)22(20)23/h2-5,7-11,13,25H,6,12,14-15H2,1H3/b13-7+
InChIKey YQNSKQICOFZRHT-NTUHNPAUSA-N
Mol Weight 346.43 g/mol
Molecular Formula C23H22O3
Exact Mass 346.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlqdIl1hAoV
Name 2-Butenoic acid, 4-(1,2,3,4-tetrahydro-1-hydroxy-1-triphenylenyl)-, methyl ester, (E)-(.+-.)-
CAS Registry Number 122048-24-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O3
InChI InChI=1S/C23H22O3/c1-26-21(24)13-7-15-23(25)14-6-12-20-18-9-3-2-8-16(18)17-10-4-5-11-19(17)22(20)23/h2-5,7-11,13,25H,6,12,14-15H2,1H3/b13-7+
InChIKey YQNSKQICOFZRHT-NTUHNPAUSA-N
Molecular Weight 346.426 g/mol
SMILES OC1(c2c(c3ccccc3c3c2cccc3)CCC1)C\C=C\C(=O)OC
SPLASH splash10-0002-0090000000-140118ab99865f52848c
Source of Spectrum J-54-3539-2
Synonyms Triphenylene, 2-butenoic acid deriv. 12-(3-Carbomethoxy-2-propenyl)-12-hydroxy-9,10,11,12-tetrahydrotriphenylene Methyl (2E)-4-(1-hydroxy-1,2,3,4-tetrahydro-1-triphenylenyl)-2-butenoate
Wiley ID 1339696