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adamantan-1-ylmethyl 4-[(ethoxycarbonyl)amino]benzoate
SpectraBase Compound ID Mh7n2e7d5U
InChI InChI=1S/C21H27NO4/c1-2-25-20(24)22-18-5-3-17(4-6-18)19(23)26-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)/t14-,15+,16-,21-
InChIKey KEHWRQDZZHSNGG-OFIQSVQDSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQ5cTKuvXUV
Name adamantan-1-ylmethyl 4-[(ethoxycarbonyl)amino]benzoate
Alternate Name(s) Benzoic acid, 4-[(ethoxycarbonyl)amino]-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester 4-(ethoxycarbonylamino)benzoic acid 1-adamantylmethyl ester 1-Adamantylmethyl 4-(ethoxycarbonylamino)benzoate
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Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-2-25-20(24)22-18-5-3-17(4-6-18)19(23)26-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H,22,24)/t14-,15+,16-,21-
InChIKey KEHWRQDZZHSNGG-OFIQSVQDSA-N
Molecular Weight 357.450 g/mol
SMILES N(C(=O)OCC)c1ccc(C(OCC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)cc1
SPLASH splash10-0a4l-7907000000-243c068ce11387984f77
Source of Spectrum IY-2-4995-4
Wiley ID 1657937