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3-{[(2-chloroethyl)(methyl)amino]methyl}-1,2-dihydroxyanthra-9,10-quinone
SpectraBase Compound ID I95IOe4PJ1A
InChI InChI=1S/C18H16ClNO4/c1-20(7-6-19)9-10-8-13-14(18(24)15(10)21)17(23)12-5-3-2-4-11(12)16(13)22/h2-5,8,21,24H,6-7,9H2,1H3
InChIKey MAUQDDOJBBVMBO-UHFFFAOYSA-N
Mol Weight 345.78 g/mol
Molecular Formula C18H16ClNO4
Exact Mass 345.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9deuKF00DN8
Name 3-{[(2-chloroethyl)(methyl)amino]methyl}-1,2-dihydroxyanthra-9,10-quinone
Alternate Name(s) Antracene-9,10(9H,10H)-dione, 3-(2-chloroethyl)methylaminomethyl-1,2-dihydroxy-
CAS Registry Number 182952-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO4
InChI InChI=1S/C18H16ClNO4/c1-20(7-6-19)9-10-8-13-14(18(24)15(10)21)17(23)12-5-3-2-4-11(12)16(13)22/h2-5,8,21,24H,6-7,9H2,1H3
InChIKey MAUQDDOJBBVMBO-UHFFFAOYSA-N
Molecular Weight 345.782 g/mol
SMILES Oc1c(c2c(cc1CN(CCCl)C)C(c1c(C2=O)cccc1)=O)O
SPLASH splash10-0pdi-9431000000-cf4f2ca62a7629553a0e
Source of Spectrum AD-0-2532-0
Wiley ID 1427829