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

*Links on SpectraBase are not permalinks.

2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone
SpectraBase Compound ID EM3I1ZlW4c7
InChI InChI=1S/C21H17ClO4/c1-4-7-14-15(10-11(2)22)20(25)16-17(21(14)26-3)19(24)13-9-6-5-8-12(13)18(16)23/h4-9,25H,2,10H2,1,3H3/b7-4+
InChIKey NUYXZOVEHRSSLX-QPJJXVBHSA-N
Mol Weight 368.82 g/mol
Molecular Formula C21H17ClO4
Exact Mass 368.081537 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 LnxJNV8DnDm
Name 2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClO4
InChI InChI=1S/C21H17ClO4/c1-4-7-14-15(10-11(2)22)20(25)16-17(21(14)26-3)19(24)13-9-6-5-8-12(13)18(16)23/h4-9,25H,2,10H2,1,3H3/b7-4+
InChIKey NUYXZOVEHRSSLX-QPJJXVBHSA-N
Molecular Weight 368.816 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)c(OC)c(c1CC(=C)Cl)\C=C\C
SPLASH splash10-001i-0009000000-eba48beb1d238f801f6e
Source of Spectrum B-47-1321-0
Synonyms 2-(2'-Chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(prop-1''-enyl)anthraquinone 2-(2-chloro-2-propenyl)-1-hydroxy-4-methoxy-3-[(1E)-1-propenyl]anthra-9,10-quinone
Wiley ID 1353038