(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 - Optional[MS (GC)] - Spectrum

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 Google Search
Mol Weight	363.37 g/mol
Molecular Formula	C18H21NO7
Exact Mass	363.131802 g/mol

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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
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
Synonyms	(1S,4S,6R,7R)-5-benzyl 7-ethyl 4-methyl 2-oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylate
Wiley ID	1733597