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(NE)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamic acid tert-butyl ester
SpectraBase Compound ID 8Xd7IMSIVKd
InChI InChI=1S/C20H29N3O4/c1-19(2,3)26-17(24)21-16(22-18(25)27-20(4,5)6)23-12-11-14-9-7-8-10-15(14)13-23/h7-10H,11-13H2,1-6H3,(H,21,22,24,25)
InChIKey KVSLVXRGPSQEHE-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C20H29N3O4
Exact Mass 375.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYenhR4mt9A
Name (NE)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamic acid tert-butyl ester
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Formula C20H29N3O4
InChI InChI=1S/C20H29N3O4/c1-19(2,3)26-17(24)21-16(22-18(25)27-20(4,5)6)23-12-11-14-9-7-8-10-15(14)13-23/h7-10H,11-13H2,1-6H3,(H,21,22,24,25)
InChIKey KVSLVXRGPSQEHE-UHFFFAOYSA-N
Molecular Weight 375.469 g/mol
SMILES N(\C(=N\C(OC(C)(C)C)=O)N1Cc2ccccc2CC1)C(OC(C)(C)C)=O
SPLASH splash10-0a59-8981000000-8f5e1c96a6d306466c12
Source of Spectrum F-68-2306-3
Synonyms (NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester (NZ)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamic acid tert-butyl ester (NZ)-N-[3,4-dihydro-1H-isoquinolin-2-yl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester tert-Butyl (NE)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamate tert-Butyl (NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate tert-Butyl (NZ)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamate tert-Butyl (NZ)-N-[3,4-dihydro-1H-isoquinolin-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
Wiley ID 1571980