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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 3-(acetyloxy)-2-methyl-2-nitrocyclohexyl ester, [1R-[1.alpha.(1S*,4R*),2.beta.,3.alpha.]]-
SpectraBase Compound ID BOmgQp1fsUh
InChI InChI=1S/C19H27NO8/c1-11(21)26-12-7-6-8-13(18(12,5)20(24)25)27-15(23)19-10-9-17(4,14(22)28-19)16(19,2)3/h12-13H,6-10H2,1-5H3/t12-,13?,17+,18+,19-/m1/s1
InChIKey KDAJYKJKIUCKFY-WHFASRMUSA-N
Mol Weight 397.42 g/mol
Molecular Formula C19H27NO8
Exact Mass 397.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2tZ9dbdyR0
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 3-(acetyloxy)-2-methyl-2-nitrocyclohexyl ester, [1R-[1.alpha.(1S*,4R*),2.beta.,3.alpha.]]-
CAS Registry Number 114455-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO8
InChI InChI=1S/C19H27NO8/c1-11(21)26-12-7-6-8-13(18(12,5)20(24)25)27-15(23)19-10-9-17(4,14(22)28-19)16(19,2)3/h12-13H,6-10H2,1-5H3/t12-,13?,17+,18+,19-/m1/s1
InChIKey KDAJYKJKIUCKFY-WHFASRMUSA-N
Molecular Weight 397.424 g/mol
SMILES [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(OC1[C@@](N(=O)=O)([C@](OC(=O)C)(CCC1)[H])C)=O
SPLASH splash10-0bu3-6900000000-f5b08659d9db51d7b000
Source of Spectrum H-71-16-7
Synonyms (2S,3R)-3-(acetyloxy)-2-methyl-2-nitrocyclohexyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [(1R,2R,3S)-3-acetoxy-2-methyl-3-nitrocyclohexyl]-camphanoate
Wiley ID 1367906