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(1RS,2RS,4RS,5RS,6RS)-2-endo-cyano-5,6-exo-epoxy-7-oxabicyclo[2.2.1]hept-2-exo-yl acetate
SpectraBase Compound ID 9X7EiV21MC2
InChI InChI=1S/C9H9NO4/c1-4(11)14-9(3-10)2-5-6-7(13-6)8(9)12-5/h5-8H,2H2,1H3/t5-,6-,7-,8-,9+/m1/s1
InChIKey CCNABDDTUHMCDV-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXJcgKQUlPx
Name (1RS,2RS,4RS,5RS,6RS)-2-endo-cyano-5,6-exo-epoxy-7-oxabicyclo[2.2.1]hept-2-exo-yl acetate
CAS Registry Number 115185-20-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-4(11)14-9(3-10)2-5-6-7(13-6)8(9)12-5/h5-8H,2H2,1H3/t5-,6-,7-,8-,9+/m1/s1
InChIKey CCNABDDTUHMCDV-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES [C@@]12([C@@]([C@@]3(O[C@]2([C@](C3)(C#N)OC(=O)C)[H])[H])(O1)[H])[H]
SPLASH splash10-001i-9700000000-b8096012e7e044faf008
Source of Spectrum H-70-1711-6
Synonyms (1RS,2SR,4RS,5RS,6RS)-2-exo-cyano-5,6-exo-epoxy-7-oxabicyclo[2.2.1]hept-2-endo-yl acetate 6-cyano-3,8-dioxatricyclo[3.2.1.0(2,4)]oct-6-yl acetate
Wiley ID 1191862