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(1.alpha.,2a.alpha.,8b.alpha.)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one

View entire compound with spectra: 1 MS (GC)

(1.alpha.,2a.alpha.,8b.alpha.)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one
SpectraBase Compound ID FQzkwNRAhOh
InChI InChI=1S/C21H18N2O4/c1-23-18-11-15(12-22)21(18,17-10-6-5-9-16(17)19(23)24)27-20(25)26-13-14-7-3-2-4-8-14/h2-10,15,18H,11,13H2,1H3/t15-,18+,21-/m0/s1
InChIKey AXCPSTBPBREENS-KLHJMIIUSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbUDq1dylcX
Name (1.alpha.,2a.alpha.,8b.alpha.)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-23-18-11-15(12-22)21(18,17-10-6-5-9-16(17)19(23)24)27-20(25)26-13-14-7-3-2-4-8-14/h2-10,15,18H,11,13H2,1H3/t15-,18+,21-/m0/s1
InChIKey AXCPSTBPBREENS-KLHJMIIUSA-N
Molecular Weight 362.385 g/mol
SMILES [C@]12([C@@](N(C)C(c3c2cccc3)=O)([H])C[C@]1(C#N)[H])OC(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-4f20fecae16f7924eda0
Source of Spectrum H1-37-288-9
Synonyms (1alpha,2a alpha,8b alpha)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one (1S,2aR,8bS)-1-cyano-3-methyl-4-oxo-2,2a,3,4-tetrahydrocyclobuta[c]isoquinolin-8b(1H)-yl benzyl carbonate
Wiley ID 755762