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2-[(2-chloro-5-methoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate
SpectraBase Compound ID GqUsoUSn1YR
InChI InChI=1S/C20H24ClNO6/c1-26-19-9-13-8-15(11-19)17(21)20(10-13,12-19)28-7-6-27-18(23)14-2-4-16(5-3-14)22(24)25/h2-5,13,15,17H,6-12H2,1H3/t13-,15+,17-,19+,20+/m1/s1
InChIKey JCTCMZUYRKDBCU-HJWRDXIDSA-N
Mol Weight 409.87 g/mol
Molecular Formula C20H24ClNO6
Exact Mass 409.129215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 881rE0nLjLJ
Name 2-[(2-chloro-5-methoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate
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Formula C20H24ClNO6
InChI InChI=1S/C20H24ClNO6/c1-26-19-9-13-8-15(11-19)17(21)20(10-13,12-19)28-7-6-27-18(23)14-2-4-16(5-3-14)22(24)25/h2-5,13,15,17H,6-12H2,1H3/t13-,15+,17-,19+,20+/m1/s1
InChIKey JCTCMZUYRKDBCU-HJWRDXIDSA-N
Molecular Weight 409.866 g/mol
SMILES [C@@]12(C[C@]3(C[C@@](C2)([C@]([C@@](C1)(C3)OCCOC(=O)c1ccc(cc1)N(=O)=O)(Cl)[H])[H])[H])OC
SPLASH splash10-0f6w-4910000000-029192b6b251b30460a0
Synonyms 4-Nitro-benzoic acid 2-(2-chloro-5-methoxy-adamantan-1-yloxy)-ethyl ester
Wiley ID 1458359