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17,18-Dinorcorynan-19-oic acid, 16-cyano-20,21-didehydro-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID 4iaMX229y6B
InChI InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)17-13-25-11-9-16-15-6-4-5-7-18(15)24-20(16)19(25)12-14(17)8-10-23/h4-7,13-14,19,24H,8-9,11-12H2,1-3H3/t14?,19-/m1/s1
InChIKey SONABGWKKGTECG-JANGERMGSA-N
Mol Weight 363.46 g/mol
Molecular Formula C22H25N3O2
Exact Mass 363.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkwcLfFFfQS
Name 17,18-Dinorcorynan-19-oic acid, 16-cyano-20,21-didehydro-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
Alternate Name(s) Indolo[2,3-a]quinolizine, 17,18-dinorcorynan-19-oic acid deriv. tert-Butyl (12bR)-2-(cyanomethyl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate tert-Butyl ester of 2.beta.-(cyanmethyl)-1,2,6,7,12,12b.beta.-hexahydroindolo[2,3-a]quinolizin-3-carboxylic acid
CAS Registry Number 78229-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O2
InChI InChI=1S/C22H25N3O2/c1-22(2,3)27-21(26)17-13-25-11-9-16-15-6-4-5-7-18(15)24-20(16)19(25)12-14(17)8-10-23/h4-7,13-14,19,24H,8-9,11-12H2,1-3H3/t14?,19-/m1/s1
InChIKey SONABGWKKGTECG-JANGERMGSA-N
Molecular Weight 363.461 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C=C(C(C1)CC#N)C(OC(C)(C)C)=O)[H]
SPLASH splash10-014i-0095000000-f3c3db8a131fb1681786
Source of Spectrum K-114-1902-0
Wiley ID 1350331