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(1-ALPHA,3-BETA,5-BETA,7-ALPHA)-8,8-DIMETHYLTRICYClO-[5.1.0.0]-OCTANE-1,7-DICARBOXYLIC-ACID
SpectraBase Compound ID 1zUm5bZHQeV
InChI InChI=1S/C12H16O4/c1-10(2)11(8(13)14)4-6-3-7(6)5-12(10,11)9(15)16/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t6-,7+,11-,12+
InChIKey NMIHOHYRGFZWFY-YJNRSYRUSA-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 2TgkhhNxJOH
Name (1a,3b,5b,7a)-8,8-dimethyltricyclo[5.1.0.03,5]octane-1,7-dicarboxylic acid
Alternate Name(s) (1R,3R,5S,7S)-8,8-dimethyltricyclo[5.1.0.0(3,5)]octane-1,7-dicarboxylic acid
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-10(2)11(8(13)14)4-6-3-7(6)5-12(10,11)9(15)16/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t6-,7+,11-,12+
InChIKey NMIHOHYRGFZWFY-YJNRSYRUSA-N
Molecular Weight 224.256 g/mol
SMILES OC([C@@]12[C@](C(=O)O)(C[C@]3([C@@](C2)(C3)[H])[H])C1(C)C)=O
SPLASH splash10-002f-9600000000-807338836a3b1776b890
Source of Spectrum B-48-469-0
Wiley ID 1225035