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(1R,4S,6S,7S)-2-Oxa-3-methyl-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,4-Methyl ester
SpectraBase Compound ID GqyGIb6IRw9
InChI InChI=1S/C16H17NO7/c1-22-15(20)10-8-23-13-11(14(18)19)12(13)17(10)16(21)24-7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3,(H,18,19)/t10-,11-,12-,13+/m0/s1
InChIKey FHAPKGONVIGAAN-ZDEQEGDKSA-N
Mol Weight 335.31 g/mol
Molecular Formula C16H17NO7
Exact Mass 335.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GGUL9I9Mwx
Name (1R,4S,6S,7S)-2-Oxa-3-methyl-5-azabicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid - 5-Benzyl ester,4-Methyl ester
Alternate Name(s) (1R,4S,6S,7S)-2-Oxa-5-aza-bicyclo[4.1.0]heptane-4,5,7-tricarboxylic acid 5-benzyl ester 4-methyl ester (1R,4S,6S,7S)-5-((benzyloxy)carbonyl)-4-(methoxycarbonyl)-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid (1S,3S,6R,7S)-2-benzyloxycarbonyl-3-methoxycarbonyl-5-oxa-2-azabicyclo[4.1.0]heptane-7-carboxylic acid (1S,3S,6R,7S)-3-methoxycarbonyl-2-phenylmethoxycarbonyl-5-oxa-2-azabicyclo[4.1.0]heptane-7-carboxylic acid
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Formula C16H17NO7
InChI InChI=1S/C16H17NO7/c1-22-15(20)10-8-23-13-11(14(18)19)12(13)17(10)16(21)24-7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3,(H,18,19)/t10-,11-,12-,13+/m0/s1
InChIKey FHAPKGONVIGAAN-ZDEQEGDKSA-N
Molecular Weight 335.312 g/mol
SMILES OC([C@]1([C@@]2(N([C@](C(=O)OC)(CO[C@]12[H])[H])C(OCc1ccccc1)=O)[H])[H])=O
SPLASH splash10-0006-9010000000-d2bf49c71e23e0c6ad56
Source of Spectrum F5-6-3336-19
Wiley ID 1733592