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12-Methyl-3-(morpholinosulfonyl)benzo[a]heptalene-2,4-diol
SpectraBase Compound ID J2HVs58qVVR
InChI InChI=1S/C21H21NO5S/c1-14-5-2-3-6-15-7-4-8-16-17(19(14)15)13-18(23)21(20(16)24)28(25,26)22-9-11-27-12-10-22/h2-8,13,23-24H,9-12H2,1H3
InChIKey QIXMEISCJIYDFV-UHFFFAOYSA-N
Mol Weight 399.46 g/mol
Molecular Formula C21H21NO5S
Exact Mass 399.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNFyYnmQkQL
Name 12-Methyl-3-(morpholinosulfonyl)benzo[a]heptalene-2,4-diol
Alternate Name(s) 12-Methyl-3-(4-morpholinylsulfonyl)benzo[a]heptalene-2,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO5S
InChI InChI=1S/C21H21NO5S/c1-14-5-2-3-6-15-7-4-8-16-17(19(14)15)13-18(23)21(20(16)24)28(25,26)22-9-11-27-12-10-22/h2-8,13,23-24H,9-12H2,1H3
InChIKey QIXMEISCJIYDFV-UHFFFAOYSA-N
Molecular Weight 399.461 g/mol
SMILES Oc1c(c(c2C=CC=C3C(c2c1)=C(C=CC=C3)C)O)S(N1CCOCC1)(=O)=O
SPLASH splash10-0002-3579300000-18fe0f8de2a8a380267d
Source of Spectrum H-83-2394-5
Wiley ID 847226