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(1r,3r,5r,7r)-6'-(Diethylamino) spiro[adamantane-2,4'-chroman]-2'-one
SpectraBase Compound ID F5hmqAyaEYB
InChI InChI=1S/C22H29NO2/c1-3-23(4-2)18-5-6-20-19(12-18)22(13-21(24)25-20)16-8-14-7-15(10-16)11-17(22)9-14/h5-6,12,14-17H,3-4,7-11,13H2,1-2H3/t14-,15+,16-,17+,22-
InChIKey IARARSOCUDOXTK-FOVLYPPQSA-N
Mol Weight 339.48 g/mol
Molecular Formula C22H29NO2
Exact Mass 339.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 372OOwXxWWC
Name (1r,3r,5r,7r)-6'-(Diethylamino) spiro[adamantane-2,4'-chroman]-2'-one
Appearance White solid
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Formula C22H29NO2
InChI InChI=1S/C22H29NO2/c1-3-23(4-2)18-5-6-20-19(12-18)22(13-21(24)25-20)16-8-14-7-15(10-16)11-17(22)9-14/h5-6,12,14-17H,3-4,7-11,13H2,1-2H3/t14-,15+,16-,17+,22-
InChIKey IARARSOCUDOXTK-FOVLYPPQSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c01887
Molecular Weight 339.479 g/mol
SMILES c1(cc2c(cc1)OC(CC21[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O)N(CC)CC
SPLASH splash10-00dr-0039000000-2cd031d634322236749c
Source of Spectrum JOC-87-SM9-3g
Wiley ID 1884177