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3-(adamantan-1-yl)phenyl diethylcarbamate
SpectraBase Compound ID 3PV4bzWTZLl
InChI InChI=1S/C21H29NO2/c1-3-22(4-2)20(23)24-19-7-5-6-18(11-19)21-12-15-8-16(13-21)10-17(9-15)14-21/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3/t15-,16+,17-,21-
InChIKey ZGPLYJFZXIKUHD-YFHKMKNMSA-N
Mol Weight 327.47 g/mol
Molecular Formula C21H29NO2
Exact Mass 327.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSMRwQC9tMN
Name 3-(adamantan-1-yl)phenyl diethylcarbamate
Alternate Name(s) 3-((3r,5r,7r)-adamantan-1-yl)phenyl diethylcarbamate
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Formula C21H29NO2
InChI InChI=1S/C21H29NO2/c1-3-22(4-2)20(23)24-19-7-5-6-18(11-19)21-12-15-8-16(13-21)10-17(9-15)14-21/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3/t15-,16+,17-,21-
InChIKey ZGPLYJFZXIKUHD-YFHKMKNMSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 327.468 g/mol
SMILES C1[C@]2(CC3(c4cccc(c4)OC(=O)N(CC)CC)C[C@@]1(C[C@](C3)(C2)[H])[H])[H]
SPLASH splash10-0udi-2900000000-0e6c4279b2f9d0233c27
Source of Spectrum A1-16-2418/SMS9-4g
Wiley ID 1749420