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Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester
SpectraBase Compound ID A6L6BIOoKoi
InChI InChI=1S/C22H27NO3/c24-20(17-1-2-17)23-19-5-3-18(4-6-19)21(25)26-13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-17H,1-2,7-13H2,(H,23,24)/t14-,15+,16-,22-
InChIKey DEXZAJWVYMABDZ-OFWUGVANSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HTlUPSk8e
Name Benzoic acid, 4-[(cyclopropylcarbonyl)amino]-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester
Alternate Name(s) 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid 1-adamantylmethyl ester 1-Adamantylmethyl 4-(cyclopropanecarbonylamino)benzoate 1-Adamantylmethyl 4-(cyclopropylcarbonylamino)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c24-20(17-1-2-17)23-19-5-3-18(4-6-19)21(25)26-13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-17H,1-2,7-13H2,(H,23,24)/t14-,15+,16-,22-
InChIKey DEXZAJWVYMABDZ-OFWUGVANSA-N
Molecular Weight 353.462 g/mol
SMILES N(C(C1CC1)=O)c1ccc(C(OCC23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)cc1
SPLASH splash10-0frf-9522000000-fd026daae2e5076d4d80
Source of Spectrum IY-2-4881-1
Wiley ID 1656568