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1-(2-Chloro-3,5-dinitrophenyl)adamantane
SpectraBase Compound ID 9WsS3TI2kj
InChI InChI=1S/C16H17ClN2O4/c17-15-13(4-12(18(20)21)5-14(15)19(22)23)16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2/t9-,10+,11-,16-
InChIKey KZNKSWRPGRRDDF-XMEMTASGSA-N
Mol Weight 336.78 g/mol
Molecular Formula C16H17ClN2O4
Exact Mass 336.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JX9RZ9BRfD
Name 1-(2-Chloro-3,5-dinitrophenyl)adamantane
Alternate Name(s) 1-(2-Chloranyl-3,5-dinitro-phenyl)adamantane
CAS Registry Number 71466-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN2O4
InChI InChI=1S/C16H17ClN2O4/c17-15-13(4-12(18(20)21)5-14(15)19(22)23)16-6-9-1-10(7-16)3-11(2-9)8-16/h4-5,9-11H,1-3,6-8H2/t9-,10+,11-,16-
InChIKey KZNKSWRPGRRDDF-XMEMTASGSA-N
Molecular Weight 336.775 g/mol
SMILES c1c(cc(c(c1C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])Cl)N(=O)=O)N(=O)=O
SPLASH splash10-000l-9224000000-4a2cccf628764c618e3b
Source of Spectrum KC-1979-472-0
Wiley ID 1332164