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5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-(N-methyl-N-(trifluoroacetyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one

View entire compound with spectra: 1 MS (GC)

5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-(N-methyl-N-(trifluoroacetyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one
SpectraBase Compound ID 8U0ZGusqo6M
InChI InChI=1S/C25H27F3N2O8/c1-29(22(34)25(26,27)28)18(21(33)37-3)13-24-14-30(23(35)38-15-7-5-4-6-8-15)12-11-17(24)16(20(32)36-2)9-10-19(24)31/h4-9,17-18H,10-14H2,1-3H3
InChIKey CMVCRFUQJLZRFP-UHFFFAOYSA-N
Mol Weight 540.49 g/mol
Molecular Formula C25H27F3N2O8
Exact Mass 540.17195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vrUrxMTvh1
Name 5-(Methoxycarbonyl)-2-(phenoxycarbonyl)-8a-[2-(methoxycarbonyl)-2-(N-methyl-N-(trifluoroacetyl)aminoethyl]-1,2,3,4,7,8-hexahydroisoquinoline-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F3N2O8
InChI InChI=1S/C25H27F3N2O8/c1-29(22(34)25(26,27)28)18(21(33)37-3)13-24-14-30(23(35)38-15-7-5-4-6-8-15)12-11-17(24)16(20(32)36-2)9-10-19(24)31/h4-9,17-18H,10-14H2,1-3H3
InChIKey CMVCRFUQJLZRFP-UHFFFAOYSA-N
Molecular Weight 540.492 g/mol
SMILES C12(C(C(C(=O)OC)=CCC2=O)CCN(C1)C(Oc1ccccc1)=O)CC(N(C(C(F)(F)F)=O)C)C(=O)OC
SPLASH splash10-0002-0000900000-7db40d91d012d2d2f697
Source of Spectrum H1-38-1617-23
Synonyms 5-methyl 2-phenyl 8a-{3-methoxy-2-[methyl(trifluoroacetyl)amino]-3-oxopropyl}-8-oxo-3,4,4a,7,8,8a-hexahydro-2,5(1H)-isoquinolinedicarboxylate 8a-[3-methoxy-2-[methyl-(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxopropyl]-8-oxo-3,4,4a,7-tetrahydro-1H-isoquinoline-2,5-dicarboxylic acid O5-methyl ester O2-phenyl ester 5-O-methyl 2-O-phenyl 8a-[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxopropyl]-8-oxo-3,4,4a,7-tetrahydro-1H-isoquinoline-2,5-dicarboxylate O5-methyl O2-phenyl 8a-[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]-3-oxo-propyl]-8-oxo-3,4,4a,7-tetrahydro-1H-isoquinoline-2,5-dicarboxylate O5-methyl O2-phenyl 8a-[3-methoxy-2-[methyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]-3-oxidanylidene-propyl]-8-oxidanylidene-3,4,4a,7-tetrahydro-1H-isoquinoline-2,5-dicarboxylate
Wiley ID 756345