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2-Benzyl-1-methyl (1R,5R,6S)-5-Hydroxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate

View entire compound with spectra: 1 MS (GC)

2-Benzyl-1-methyl (1R,5R,6S)-5-Hydroxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
SpectraBase Compound ID K75s9fBUKGE
InChI InChI=1S/C16H19NO5/c1-21-14(19)16-9-12(16)13(18)7-8-17(16)15(20)22-10-11-5-3-2-4-6-11/h2-6,12-13,18H,7-10H2,1H3/t12-,13-,16-/m1/s1
InChIKey BZZRNZBIVLVYHN-XJKCOSOUSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cd07mUn5Ce7
Name 2-Benzyl-1-methyl (1R,5R,6S)-5-Hydroxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
Alternate Name(s) (1S,2R,6R)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylic acid O6-methyl ester O5-(phenylmethyl) ester 5-O-benzyl 6-O-methyl (1S,2R,6R)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate O5-benzyl O6-methyl (1S,2R,6R)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate O6-methyl O5-(phenylmethyl) (1S,2R,6R)-2-oxidanyl-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-21-14(19)16-9-12(16)13(18)7-8-17(16)15(20)22-10-11-5-3-2-4-6-11/h2-6,12-13,18H,7-10H2,1H3/t12-,13-,16-/m1/s1
InChIKey BZZRNZBIVLVYHN-XJKCOSOUSA-N
Molecular Weight 305.330 g/mol
SMILES O[C@]1([C@@]2([C@](N(C(OCc3ccccc3)=O)CC1)(C2)C(=O)OC)[H])[H]
SPLASH splash10-0a4i-0009000000-e066b79f10920be94e44
Source of Spectrum U1-2011-6549-10
Wiley ID 1702982