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Methyl 2-(4-(1-adamantyl)phenyl)-5-nitrobenzoate
SpectraBase Compound ID AXhbX3f3geG
InChI InChI=1S/C24H25NO4/c1-29-23(26)22-11-20(25(27)28)6-7-21(22)18-2-4-19(5-3-18)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3/t15-,16+,17-,24-
InChIKey VHUCSALOBZRXHK-ONHXBKDTSA-N
Mol Weight 391.47 g/mol
Molecular Formula C24H25NO4
Exact Mass 391.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Koemi629iP4
Name Methyl 2-(4-(1-adamantyl)phenyl)-5-nitrobenzoate
Alternate Name(s) Methyl 4'-(1-adamantyl)-4-nitro[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO4
InChI InChI=1S/C24H25NO4/c1-29-23(26)22-11-20(25(27)28)6-7-21(22)18-2-4-19(5-3-18)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3/t15-,16+,17-,24-
InChIKey VHUCSALOBZRXHK-ONHXBKDTSA-N
Molecular Weight 391.467 g/mol
SMILES C12(c3ccc(-c4c(cc(N(=O)=O)cc4)C(=O)OC)cc3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-0f6x-0009000000-1173ef3520de9d9c9b97
Source of Spectrum SO-0-1248-6
Wiley ID 876861