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(2R,4S,6R,8R,9S;9,10-m)2,6-di(3-aminophenyl)-4,8-di(methoxycarbonyl)-cis-1,3,5,7-tetraoxadecalin
SpectraBase Compound ID Hg01Gej6wBK
InChI InChI=1S/C22H24N2O8/c1-27-19(25)17-15-16(30-21(31-17)11-5-3-7-13(23)9-11)18(20(26)28-2)32-22(29-15)12-6-4-8-14(24)10-12/h3-10,15-18,21-22H,23-24H2,1-2H3/t15-,16-,17-,18+,21+,22+/m0/s1
InChIKey RXTLDAZTFRSOBP-NSZLKXBBSA-N
Mol Weight 444.44 g/mol
Molecular Formula C22H24N2O8
Exact Mass 444.153266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z7PHJEpmzU
Name (2R,4S,6R,8R,9S;9,10-m)2,6-di(3-aminophenyl)-4,8-di(methoxycarbonyl)-cis-1,3,5,7-tetraoxadecalin
Alternate Name(s) 4,8-Dimethyl 2,6-bis(3-aminophenyl)-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O8
InChI InChI=1S/C22H24N2O8/c1-27-19(25)17-15-16(30-21(31-17)11-5-3-7-13(23)9-11)18(20(26)28-2)32-22(29-15)12-6-4-8-14(24)10-12/h3-10,15-18,21-22H,23-24H2,1-2H3/t15-,16-,17-,18+,21+,22+/m0/s1
InChIKey RXTLDAZTFRSOBP-NSZLKXBBSA-N
Molecular Weight 444.440 g/mol
SMILES Nc1cc([C@]2(O[C@]([C@@]3([C@@]([C@](O[C@](c4cc(ccc4)N)(O3)[H])(C(=O)OC)[H])(O2)[H])[H])(C(=O)OC)[H])[H])ccc1
SPLASH splash10-0006-1200900000-91c0c19aff53979eceed
Source of Spectrum F-53-4831-6
Wiley ID 801587