For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-5,6,8,9-tetrahydro-7-phenyl-, (2-methoxyethoxy)methyl ester
SpectraBase Compound ID IlnLBCJqgG
InChI InChI=1S/C33H28Br2O4/c1-37-15-16-38-19-39-33(36)32-30-25(13-9-20-7-11-23(34)17-27(20)30)29(22-5-3-2-4-6-22)26-14-10-21-8-12-24(35)18-28(21)31(26)32/h2-8,11-12,17-18H,9-10,13-16,19H2,1H3
InChIKey SJJBFLKPCXXVNW-UHFFFAOYSA-N
Mol Weight 648.4 g/mol
Molecular Formula C33H28Br2O4
Exact Mass 646.035435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ExHVprbxAXG
Name Dibenz[a,j]anthracene-14-carboxylic acid, 2,12-dibromo-5,6,8,9-tetrahydro-7-phenyl-, (2-methoxyethoxy)methyl ester
CAS Registry Number 130861-77-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28Br2O4
InChI InChI=1S/C33H28Br2O4/c1-37-15-16-38-19-39-33(36)32-30-25(13-9-20-7-11-23(34)17-27(20)30)29(22-5-3-2-4-6-22)26-14-10-21-8-12-24(35)18-28(21)31(26)32/h2-8,11-12,17-18H,9-10,13-16,19H2,1H3
InChIKey SJJBFLKPCXXVNW-UHFFFAOYSA-N
Molecular Weight 648.391 g/mol
SMILES c1-2c(c3-c4c(ccc(c4)Br)CCc3c(c1CCc1c2cc(cc1)Br)-c1ccccc1)C(OCOCCOC)=O
SPLASH splash10-0002-0000009000-c3fbe7944cc5cfa2dd47
Source of Spectrum C-113-195-47
Synonyms (2-methoxyethoxy)methyl 2,12-dibromo-7-phenyl-5,6,8,9-tetrahydrobenz[a,j]anthracene-14-carboxylate (2-methoxyethoxy)methyl 2,12-dibromo-7-phenyl-5,6,8,9-tetrahydrodibenzo[a,j]anthracene-14-carboxylate
Wiley ID 1412906