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(1S,4S,6R,7R)-2-Oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-Ethyl ester,4-Methyl ester
SpectraBase Compound ID BKv8j3lsGjV
InChI InChI=1S/C18H21NO7/c1-3-24-17(21)13-14-15(13)25-10-12(16(20)23-2)19(14)18(22)26-9-11-7-5-4-6-8-11/h4-8,12-15H,3,9-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey NFJYSRAYRYAFEW-YJNKXOJESA-N
Mol Weight 363.37 g/mol
Molecular Formula C18H21NO7
Exact Mass 363.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ctj4XOUQrHx
Name (1S,4S,6R,7R)-2-Oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-Ethyl ester,4-Methyl ester
Alternate Name(s) (1S,4S,6R,7R)-5-benzyl 7-ethyl 4-methyl 2-oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO7
InChI InChI=1S/C18H21NO7/c1-3-24-17(21)13-14-15(13)25-10-12(16(20)23-2)19(14)18(22)26-9-11-7-5-4-6-8-11/h4-8,12-15H,3,9-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey NFJYSRAYRYAFEW-YJNKXOJESA-N
Molecular Weight 363.366 g/mol
SMILES [C@@]1([C@]2(N([C@](C(=O)OC)(CO[C@@]12[H])[H])C(OCc1ccccc1)=O)[H])(C(=O)OCC)[H]
SPLASH splash10-0006-9120000000-cfa0134063d28eed908c
Source of Spectrum F5-6-3334-14a
Wiley ID 1733597