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(phenylmethyl) 3-(2-methoxy-2-oxidanylidene-ethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
SpectraBase Compound ID G7D2B6Nop2L
InChI InChI=1S/C20H27NO4/c1-24-19(22)12-18-11-16-9-5-6-10-17(16)13-21(18)20(23)25-14-15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3
InChIKey NUEMSVBKIFKWAB-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fEeARxih6d
Name (phenylmethyl) 3-(2-methoxy-2-oxidanylidene-ethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
Alternate Name(s) 3-(2-keto-2-methoxy-ethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid benzyl ester 3-(2-Methoxy-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester benzyl 3-(2-methoxy-2-oxo-ethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Benzyl 3-(2-methoxy-2-oxoethyl)octahydro-2(1H)-isoquinolinecarboxylate Isoquinoline, decahydro-2-[(benzyloxy)carbonyl]-3-[(carbmethoxy)methyl]
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Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-24-19(22)12-18-11-16-9-5-6-10-17(16)13-21(18)20(23)25-14-15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3
InChIKey NUEMSVBKIFKWAB-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES C12C(CCCC2)CN(C(C1)CC(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-01tc-8390000000-4ecb105a0e1798f74e61
Wiley ID 1478189