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(1.alpha.,2a.beta.,8b.beta.)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one
SpectraBase Compound ID EE3OwweS89C
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-/m1/s1
InChIKey AXCPSTBPBREENS-DOSTUVGRSA-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 VOf0mFUoub
Name (1.alpha.,2a.beta.,8b.beta.)-8b-Benzyloxycarbonyl-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one
Comments Less than 3 mono-isotopic peaks
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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-/m1/s1
InChIKey AXCPSTBPBREENS-DOSTUVGRSA-N
Molecular Weight 362.385 g/mol
SMILES [C@@]12([C@@](N(C)C(c3c2cccc3)=O)([H])CC1C#N)OC(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-4f20fecae16f7924eda0
Source of Spectrum H1-37-288-10
Synonyms (1.alpha.,2a.beta.,8b.beta.)-8b-Benzyloxycarbonyloxy-1-cyano-1,2a,3,8b-tetrahydro-3-methylcyclobut[c]isoquinolin-4(2H)-one
Wiley ID 755761