(1R,4S,6S,7S)-2-Oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-t-Butyl ester,4-Methyl ester - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	6SJ7rxYgffB
InChI	InChI=1S/C20H25NO7/c1-20(2,3)28-18(23)14-15-16(14)26-11-13(17(22)25-4)21(15)19(24)27-10-12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3/t13-,14-,15-,16+/m0/s1
InChIKey	AORJRGKPKSMPGA-YHUYYLMFSA-N Google Search
Mol Weight	391.42 g/mol
Molecular Formula	C20H25NO7
Exact Mass	391.163102 g/mol

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SpectraBase Spectrum ID	GeBKIpZWZRB
Name	(1R,4S,6S,7S)-2-Oxa-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,7-t-Butyl ester,4-Methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H25NO7
InChI	InChI=1S/C20H25NO7/c1-20(2,3)28-18(23)14-15-16(14)26-11-13(17(22)25-4)21(15)19(24)27-10-12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3/t13-,14-,15-,16+/m0/s1
InChIKey	AORJRGKPKSMPGA-YHUYYLMFSA-N
Molecular Weight	391.420 g/mol
SMILES	[C@]1([C@@]2(N([C@](C(=O)OC)(CO[C@]12[H])[H])C(OCc1ccccc1)=O)[H])(C(OC(C)(C)C)=O)[H]
SPLASH	splash10-0006-9010000000-2fb71bb52f6dc8487c8f
Source of Spectrum	F5-6-3335-15b
Synonyms	(1R,4S,6S,7S)-5-benzyl 7-tert-butyl 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-tert-butyl ester O3-methyl ester O2-(phenylmethyl) ester 2-O-benzyl 7-O-tert-butyl 3-O-methyl (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O2-benzyl O7-tert-butyl O3-methyl (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate O7-tert-butyl O3-methyl O2-(phenylmethyl) (1S,3S,6R,7S)-5-oxa-2-azabicyclo[4.1.0]heptane-2,3,7-tricarboxylate
Wiley ID	1733594