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(1R*,5R*,6R*)-6-Carbomethoxy4,6-dimethoxybicyclo[3.1.0(1,5)]hex-3-en-2-one
SpectraBase Compound ID EbR7I1kMwtw
InChI InChI=1S/C10H12O5/c1-13-6-4-5(11)7-8(6)10(7,15-3)9(12)14-2/h4,7-8H,1-3H3/t7-,8-,10+/m1/s1
InChIKey ACXSHJMNFZVCFD-MRTMQBJTSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mlPARo7RDB
Name (1R*,5R*,6R*)-6-Carbomethoxy4,6-dimethoxybicyclo[3.1.0(1,5)]hex-3-en-2-one
Alternate Name(s) methyl (1S,5R,6R)-2,6-dimethoxy-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylate
CAS Registry Number 136213-37-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-13-6-4-5(11)7-8(6)10(7,15-3)9(12)14-2/h4,7-8H,1-3H3/t7-,8-,10+/m1/s1
InChIKey ACXSHJMNFZVCFD-MRTMQBJTSA-N
Molecular Weight 212.201 g/mol
SMILES [C@]1([C@@]2(C(OC)=CC([C@@]12[H])=O)[H])(C(=O)OC)OC
SPLASH splash10-03di-0090000000-d3625460c150906da84c
Source of Spectrum J-56-6394-2
Wiley ID 1211007