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9-Oxabicyclo[3.3.2]decan-10-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-
SpectraBase Compound ID L8dI2cUOyYJ
InChI InChI=1S/C12H19NO4/c1-7-9-5-4-6-12(3,17-11(9)14)8(2)10(7)13(15)16/h7-10H,4-6H2,1-3H3/t7?,8?,9-,10?,12+/m0/s1
InChIKey SBVKKDRNAQJRGF-BDGCYKFTSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dsec96Z4bJ7
Name 9-Oxabicyclo[3.3.2]decan-10-one, 1,2,4-trimethyl-3-nitro-, (2-endo,3-exo,4-exo)-(.+-.)-
CAS Registry Number 129967-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-7-9-5-4-6-12(3,17-11(9)14)8(2)10(7)13(15)16/h7-10H,4-6H2,1-3H3/t7?,8?,9-,10?,12+/m0/s1
InChIKey SBVKKDRNAQJRGF-BDGCYKFTSA-N
Molecular Weight 241.287 g/mol
SMILES C1(N(=O)=O)C([C@]2(C(=O)O[C@@](C1C)(CCC2)C)[H])C
SPLASH splash10-05mo-9200000000-fed2c982bcbf3628d8a3
Source of Spectrum C-112-7637-23
Synonyms 1,2,4-trimethyl-3-nitro-9-oxabicyclo[3.3.2]decan-10-one rac-5-hydroxy-2,4,5-trimethyl-3-nitrocyclooctanecarboxylic acid lactone
Wiley ID 1244020