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1-(1-Adamantyl)-3-methoxycarbonyl-5-nitrobenzene
SpectraBase Compound ID 14AUyCUYWT2
InChI InChI=1S/C18H21NO4/c1-23-17(20)14-5-15(7-16(6-14)19(21)22)18-8-11-2-12(9-18)4-13(3-11)10-18/h5-7,11-13H,2-4,8-10H2,1H3
InChIKey WGZHBTDCEKFGMC-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnKizX2WDrJ
Name 1-(1-Adamantyl)-3-methoxycarbonyl-5-nitrobenzene
CAS Registry Number 71466-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-23-17(20)14-5-15(7-16(6-14)19(21)22)18-8-11-2-12(9-18)4-13(3-11)10-18/h5-7,11-13H,2-4,8-10H2,1H3
InChIKey WGZHBTDCEKFGMC-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES C12(c3cc(N(=O)=O)cc(c3)C(=O)OC)CC3CC(C1)CC(C2)C3
SPLASH splash10-066r-5169000000-56da04b470ce1335a1f7
Source of Spectrum KC-1979-472-0
Synonyms Benzoic acid, 3-nitro-5-tricyclo[3.3.1.1(3,7)]dec-1-yl-, methyl ester Methyl 3-(1-adamantyl)-5-nitrobenzoate
Wiley ID 1316016