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2-Butenoic acid, 4-(8,9,10,11-tetrahydro-8-hydroxybenz[a]anthracen-9-yl)-
SpectraBase Compound ID H8JK3uSg7p
InChI InChI=1S/C22H20O3/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/h1-4,6-8,10,12-13,15,22,25H,5,9,11H2,(H,23,24)/b7-3+
InChIKey YZCQZVLCXVHHBJ-XVNBXDOJSA-N
Mol Weight 332.4 g/mol
Molecular Formula C22H20O3
Exact Mass 332.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6qXemxBBtz
Name 2-Butenoic acid, 4-(8,9,10,11-tetrahydro-8-hydroxybenz[a]anthracen-9-yl)-
Alternate Name(s) Benz[a]anthracene, 2-butenoic acid deriv. (2E)-4-(8-hydroxy-8,9,10,11-tetrahydrobenzo[a]anthracen-9-yl)-2-butenoic acid 9-(3-Carboxyallyl)-8,9,10,11-tetrahydrobenz[a]anthracen-8-ol
CAS Registry Number 127239-45-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O3
InChI InChI=1S/C22H20O3/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/h1-4,6-8,10,12-13,15,22,25H,5,9,11H2,(H,23,24)/b7-3+
InChIKey YZCQZVLCXVHHBJ-XVNBXDOJSA-N
Molecular Weight 332.399 g/mol
SMILES OC1C(C\C=C\C(=O)O)CCc2c1cc1c(c2)c2ccccc2cc1
SPLASH splash10-03fr-0049000000-c605f5d1bf303cc45fd5
Source of Spectrum KC-1989-2231-7
Wiley ID 1329897