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Tricyclo[5.1.0.0(3,5)]octane-2,6-dicarboxylic acid, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,5.beta.,6.alpha.,7.alpha.)-
SpectraBase Compound ID KVR3qKxaSF7
InChI InChI=1S/C12H16O4/c1-15-11(13)9-5-3-7(5)10(12(14)16-2)8-4-6(8)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+,9?,10?/m0/s1
InChIKey SDAQYEQERROMLE-CLEOHUHOSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Do2cpvnRdg
Name Tricyclo[5.1.0.0(3,5)]octane-2,6-dicarboxylic acid, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,5.beta.,6.alpha.,7.alpha.)-
Alternate Name(s) Dimethyl (1R,3S,5S,7S)-tricyclo[5.1.0.0(3,5)]octane-2,6-dicarboxylate Dimethyl trans-tricyclo[5.1.0.0(3,5)]octane-cis-2,6-dicarboxylate
CAS Registry Number 55409-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)9-5-3-7(5)10(12(14)16-2)8-4-6(8)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8+,9?,10?/m0/s1
InChIKey SDAQYEQERROMLE-CLEOHUHOSA-N
Molecular Weight 224.256 g/mol
SMILES [C@@]12([C@](C(C(=O)OC)[C@@]3([C@@](C2C(=O)OC)(C3)[H])[H])([H])C1)[H]
SPLASH splash10-014i-0910000000-86573ef798b1f19d4ced
Source of Spectrum C-97-1898-0
Wiley ID 1224958