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ethyl 6-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]pyridine-3-carboxylate
SpectraBase Compound ID 3AozKWavoaX
InChI InChI=1S/C19H25NO2/c1-4-22-18(21)14-7-10-16(20-12-14)9-6-13-5-8-15-11-17(13)19(15,2)3/h5,7,10,12,15,17H,4,6,8-9,11H2,1-3H3/t15-,17-/m0/s1
InChIKey ADSOFMIXKVCQIF-RDJZCZTQSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIiPrvn72jc
Name ethyl 6-[2-[(1R,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]ethyl]pyridine-3-carboxylate
Appearance Yellow oil
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Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-4-22-18(21)14-7-10-16(20-12-14)9-6-13-5-8-15-11-17(13)19(15,2)3/h5,7,10,12,15,17H,4,6,8-9,11H2,1-3H3/t15-,17-/m0/s1
InChIKey ADSOFMIXKVCQIF-RDJZCZTQSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 299.414 g/mol
Optical Rotation [a]D20 = -23 (c = 1.35, CHCl3)
Reported Formula C19H25NO2
SMILES c1c(cnc(c1)CCC1=CC[C@]2(C[C@@]1(C2(C)C)[H])[H])C(OCC)=O
SPLASH splash10-0fsr-0390000000-e39bdc756dfc006f7586
Source of Spectrum ACI-59-SM16-3h
Wiley ID 1857653