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2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 6-hydroxy-1-(hydroxymethyl)-5-methylene-7-(4-nitrophenyl)-, (1S)-
SpectraBase Compound ID 6EBNVt0ejQp
InChI InChI=1S/C15H15N3O7/c1-9-6-7-25-14(8-19)13(21)17(15(9,22)12(20)16-14)10-2-4-11(5-3-10)18(23)24/h2-5,19,22H,1,6-8H2,(H,16,20)/t14-,15+/m0/s1
InChIKey PKBRAEGXJISELI-MLCCFXAWSA-N
Mol Weight 349.3 g/mol
Molecular Formula C15H15N3O7
Exact Mass 349.091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rY8IEj3gXB
Name 2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 6-hydroxy-1-(hydroxymethyl)-5-methylene-7-(4-nitrophenyl)-, (1S)-
CAS Registry Number 108451-64-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O7
InChI InChI=1S/C15H15N3O7/c1-9-6-7-25-14(8-19)13(21)17(15(9,22)12(20)16-14)10-2-4-11(5-3-10)18(23)24/h2-5,19,22H,1,6-8H2,(H,16,20)/t14-,15+/m0/s1
InChIKey PKBRAEGXJISELI-MLCCFXAWSA-N
Molecular Weight 349.299 g/mol
SMILES N1C([C@]2(N(C([C@]1(CO)OCCC2=C)=O)c1ccc(N(=O)=O)cc1)O)=O
SPLASH splash10-05dr-9100000000-a0b293971c4eb0c6e023
Source of Spectrum C-109-4035-37
Synonyms (1S)-6-hydroxy-1-(hydroxymethyl)-5-methylene-7-(4-nitrophenyl)-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione 8,10-Diaza-6-hydroxy-1-hydroxymethyl-10-(p-nitrophenyl)-5-methylene-2-oxabicyclo[4.2.2]decane-7,9-dione
Wiley ID 1341253