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2-Butenoic acid, 4-(8,9,10,11-tetrahydro-8-oxobenz[a]anthracen-9-yl)-
SpectraBase Compound ID E289DiVyh8p
InChI InChI=1S/C22H18O3/c23-21(24)7-3-5-15-9-11-17-12-19-16(13-20(17)22(15)25)10-8-14-4-1-2-6-18(14)19/h1-4,6-8,10,12-13,15H,5,9,11H2,(H,23,24)/b7-3+
InChIKey XFJAFJYNFMNTEL-XVNBXDOJSA-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 3778i9M29cF
Name 2-Butenoic acid, 4-(8,9,10,11-tetrahydro-8-oxobenz[a]anthracen-9-yl)-
Alternate Name(s) Benz[a]anthracene, 2-butenoic acid deriv. (2E)-4-(8-oxo-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl)-2-butenoic acid 9-(3-Carboxyallyl)-10,11-dihydrobenz[a]anthracen-8(9H)-one
CAS Registry Number 127239-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O3
InChI InChI=1S/C22H18O3/c23-21(24)7-3-5-15-9-11-17-12-19-16(13-20(17)22(15)25)10-8-14-4-1-2-6-18(14)19/h1-4,6-8,10,12-13,15H,5,9,11H2,(H,23,24)/b7-3+
InChIKey XFJAFJYNFMNTEL-XVNBXDOJSA-N
Molecular Weight 330.383 g/mol
SMILES OC(\C=C\CC1C(c2c(cc3c(c2)ccc2ccccc32)CC1)=O)=O
SPLASH splash10-0079-0793000000-ab77463e1462b0456dfc
Source of Spectrum KC-1989-2231-6
Wiley ID 1328301