(1R,4S,6S,7S)-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	BZHwrJcyO7p
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-ZQDZILKHSA-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	Jh94HNHvmvS
Name	(1R,4S,6S,7S)-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)	(1R,4S,6S,7S)-5-benzyl 7-ethyl 4-methyl 2-oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylate (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylic acid O7-ethyl ester O3-methyl ester O2-(phenylmethyl) ester 2-O-benzyl 7-O-ethyl 3-O-methyl (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O2-benzyl O7-ethyl O3-methyl (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O7-ethyl O3-methyl O2-(phenylmethyl) (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-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-ZQDZILKHSA-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	splash10-0006-9020000000-1a0722f9d03dce8ff6b3
Source of Spectrum	F5-6-3335-15a
Wiley ID	1733595