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1,1-Bis(chloromethyl)-5-hydroxy-N-tolsyl-1,2-dihydro-3H-benz[e]indole
SpectraBase Compound ID 1IMvSSsugju
InChI InChI=1S/C21H19Cl2NO3S/c1-14-6-8-15(9-7-14)28(26,27)24-13-21(11-22,12-23)20-17-5-3-2-4-16(17)19(25)10-18(20)24/h2-10,25H,11-13H2,1H3
InChIKey IUIXXMOMEOCHCU-UHFFFAOYSA-N
Mol Weight 436.35 g/mol
Molecular Formula C21H19Cl2NO3S
Exact Mass 435.04627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4WwU9kc6Bq
Name 1,1-Bis(chloromethyl)-5-hydroxy-N-tolsyl-1,2-dihydro-3H-benz[e]indole
Alternate Name(s) 1,1-bis(chloromethyl)-3-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-benzo[e]indol-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19Cl2NO3S
InChI InChI=1S/C21H19Cl2NO3S/c1-14-6-8-15(9-7-14)28(26,27)24-13-21(11-22,12-23)20-17-5-3-2-4-16(17)19(25)10-18(20)24/h2-10,25H,11-13H2,1H3
InChIKey IUIXXMOMEOCHCU-UHFFFAOYSA-N
Molecular Weight 436.353 g/mol
SMILES Oc1cc2N(S(c3ccc(cc3)C)(=O)=O)CC(CCl)(CCl)c2c2ccccc12
SPLASH splash10-000f-9066200000-0ac49a736854a0f9feb5
Source of Spectrum C-114-9325-22
Wiley ID 1383212