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Methyl 5-endo-6-endo-6-chloro-4-hydroxy-2,7,7-trimethylbicyclo[2.2.2]octa-2-en-5-carboxylate
SpectraBase Compound ID 2GSI13wLIUm
InChI InChI=1S/C13H19ClO3/c1-7-5-13(16)6-12(2,3)8(7)10(14)9(13)11(15)17-4/h5,8-10,16H,6H2,1-4H3/t8-,9-,10-,13+/m1/s1
InChIKey PDLQLAYCJAGIAQ-UHFFFAOYSA-N
Mol Weight 258.74 g/mol
Molecular Formula C13H19ClO3
Exact Mass 258.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GGzNkF6Mud
Name Methyl 5-endo-6-endo-6-chloro-4-hydroxy-2,7,7-trimethylbicyclo[2.2.2]octa-2-en-5-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19ClO3
InChI InChI=1S/C13H19ClO3/c1-7-5-13(16)6-12(2,3)8(7)10(14)9(13)11(15)17-4/h5,8-10,16H,6H2,1-4H3/t8-,9-,10-,13+/m1/s1
InChIKey PDLQLAYCJAGIAQ-UHFFFAOYSA-N
Molecular Weight 258.745 g/mol
SMILES O[C@@]12[C@]([C@](Cl)([C@](C(C2)(C)C)(C(=C1)C)[H])[H])(C(=O)OC)[H]
SPLASH splash10-00di-1920000000-5c0963ac37b5d0926d48
Source of Spectrum KC-0-2403-19
Synonyms Methyl 3-chloro-1-hydroxy-5,8,8-trimethylbicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 786437