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1,4-Epoxyanthracene-2-carboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, methyl ester, (1.alpha.,2.beta.,4.alpha.)-
SpectraBase Compound ID BcdtP9ZiaUe
InChI InChI=1S/C22H18O3/c1-24-21(23)19-13-20-17-11-14-7-5-6-8-15(14)12-18(17)22(19,25-20)16-9-3-2-4-10-16/h2-12,19-20H,13H2,1H3/t19-,20+,22+/m1/s1
InChIKey JZJZAXKQWMPSJY-URVUXULASA-N
Mol Weight 330.38 g/mol
Molecular Formula C22H18O3
Exact Mass 330.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9BvMUawy8D
Name 1,4-Epoxyanthracene-2-carboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, methyl ester, (1.alpha.,2.beta.,4.alpha.)-
CAS Registry Number 114529-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O3
InChI InChI=1S/C22H18O3/c1-24-21(23)19-13-20-17-11-14-7-5-6-8-15(14)12-18(17)22(19,25-20)16-9-3-2-4-10-16/h2-12,19-20H,13H2,1H3/t19-,20+,22+/m1/s1
InChIKey JZJZAXKQWMPSJY-URVUXULASA-N
Molecular Weight 330.383 g/mol
SMILES [C@]12([C@](C[C@@](O2)([H])c2c1cc1c(cccc1)c2)(C(=O)OC)[H])c1ccccc1
SPLASH splash10-0006-0090000000-be1ad82098cf0caac47d
Source of Spectrum O-23-747-33
Synonyms Methyl (1S,12S,13S)-12-phenyl-15-oxatetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-2(11),3,5,7,9-pentaene-13-carboxylate Z-2-(methoxycarbonyl)-1-phenyl-1,4-epoxy-1,2,3,4-tetrahydroanthracene Z-3-(methoxycarbonyl)-4-phenyl-1,4-epoxy-1,2,3,4-tetrahydrophenanthrene
Wiley ID 1328303