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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 3-(acetyloxy)-2-nitrocyclohexyl ester, [1R-[1.alpha.(1S*,4R*),2.beta.,3.alpha.]]-
SpectraBase Compound ID C5jAQfyoKYm
InChI InChI=1S/C18H25NO8/c1-10(20)25-11-6-5-7-12(13(11)19(23)24)26-15(22)18-9-8-17(4,14(21)27-18)16(18,2)3/h11-13H,5-9H2,1-4H3/t11-,12?,13+,17-,18+/m1/s1
InChIKey BZDPSGBPTZGLBT-SNVIQYIRSA-N
Mol Weight 383.4 g/mol
Molecular Formula C18H25NO8
Exact Mass 383.158017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2N4p2SMBh4K
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 3-(acetyloxy)-2-nitrocyclohexyl ester, [1R-[1.alpha.(1S*,4R*),2.beta.,3.alpha.]]-
CAS Registry Number 114455-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO8
InChI InChI=1S/C18H25NO8/c1-10(20)25-11-6-5-7-12(13(11)19(23)24)26-15(22)18-9-8-17(4,14(21)27-18)16(18,2)3/h11-13H,5-9H2,1-4H3/t11-,12?,13+,17-,18+/m1/s1
InChIKey BZDPSGBPTZGLBT-SNVIQYIRSA-N
Molecular Weight 383.397 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])[H])=O
SPLASH splash10-0a5d-9400000000-5b52f93a10bc71ae699b
Source of Spectrum H-71-16-6
Synonyms (2S,3R)-3-(acetyloxy)-2-nitrocyclohexyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [(1R,2R,3S)-3-acetoxy-3-nitrocyclohexyl]-camphanoate
Wiley ID 1361011