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2-[N-(4,7,7-Trimethyl-2-oxa-3-oxobicyclo[2.2.1]heptylamido)methyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole
SpectraBase Compound ID 6vJ6k2y1zlJ
InChI InChI=1S/C22H30N2O7/c1-20(2)21(3)8-9-22(20,31-19(21)28)18(27)24-12-15-14(10-17(26)30-5)13(11-23-15)6-7-16(25)29-4/h11,23H,6-10,12H2,1-5H3,(H,24,27)/t21-,22+/m1/s1
InChIKey MZYQYFIBFFPSBN-YADHBBJMSA-N
Mol Weight 434.49 g/mol
Molecular Formula C22H30N2O7
Exact Mass 434.205301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CL5zM3flxoW
Name 2-[N-(4,7,7-Trimethyl-2-oxa-3-oxobicyclo[2.2.1]heptylamido)methyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O7
InChI InChI=1S/C22H30N2O7/c1-20(2)21(3)8-9-22(20,31-19(21)28)18(27)24-12-15-14(10-17(26)30-5)13(11-23-15)6-7-16(25)29-4/h11,23H,6-10,12H2,1-5H3,(H,24,27)/t21-,22+/m1/s1
InChIKey MZYQYFIBFFPSBN-YADHBBJMSA-N
Molecular Weight 434.489 g/mol
SMILES N(C([C@@]12OC(=O)[C@@](C2(C)C)(C)CC1)=O)Cc1c(c(CCC(=O)OC)c[nH]1)CC(=O)OC
SPLASH splash10-00di-0091000000-b71596f2ce470ed72c3c
Source of Spectrum KC-0-2684-22
Synonyms 2-[N-(4,7,7-Trimethyl-2-oxa-3-oxocyclo[2.2.1]heptylamido)methyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole Methyl 3-[4-(2-methoxy-2-oxoethyl)-5-({[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}methyl)-1H-pyrrol-3-yl]propanoate
Wiley ID 829143