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2-Benzyl-1-methyl (1S,5R,6R)-5-Hydroxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
SpectraBase Compound ID 1u048EVc4Rj
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-/m0/s1
InChIKey BZZRNZBIVLVYHN-ZENOOKHLSA-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 6zKUMt4Aps
Name 2-Benzyl-1-methyl (1S,5R,6R)-5-Hydroxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-/m0/s1
InChIKey BZZRNZBIVLVYHN-ZENOOKHLSA-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 splash10-03di-0290000000-d5373934c81e2c62c614
Source of Spectrum U1-2011-6549-10
Synonyms (1R,2R,6S)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylic acid O6-methyl ester O5-(phenylmethyl) ester 5-O-benzyl 6-O-methyl (1R,2R,6S)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate O5-benzyl O6-methyl (1R,2R,6S)-2-hydroxy-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate O6-methyl O5-(phenylmethyl) (1R,2R,6S)-2-oxidanyl-5-azabicyclo[4.1.0]heptane-5,6-dicarboxylate
Wiley ID 1702979