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trans-2,3-Bis(methoxycarbonyl)-1,2,3,4-tetrahydrophenanthridine
SpectraBase Compound ID Jrf1B7fMG80
InChI InChI=1S/C17H17NO4/c1-21-16(19)13-7-12-11-6-4-3-5-10(11)9-18-15(12)8-14(13)17(20)22-2/h3-6,9,13-14H,7-8H2,1-2H3/t13-,14-/m0/s1
InChIKey MXNKOCPBQUMJMK-KBPBESRZSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71drAYJm1Rm
Name trans-2,3-Bis(methoxycarbonyl)-1,2,3,4-tetrahydrophenanthridine
Alternate Name(s) dimethyl (2S,3S)-1,2,3,4-tetrahydro-2,3-phenanthridinedicarboxylate trans-2,3-Bis(methoxycarbonyl)-1,2,3,4-tetrahydronanthridine
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-21-16(19)13-7-12-11-6-4-3-5-10(11)9-18-15(12)8-14(13)17(20)22-2/h3-6,9,13-14H,7-8H2,1-2H3/t13-,14-/m0/s1
InChIKey MXNKOCPBQUMJMK-KBPBESRZSA-N
Molecular Weight 299.326 g/mol
SMILES c12c(C[C@@]([C@](C2)(C(=O)OC)[H])(C(=O)OC)[H])ncc2c1cccc2
SPLASH splash10-001o-0990000000-a8e86b18b5beba7fd566
Source of Spectrum F-54-12619-30
Wiley ID 809357