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tert-Butyl exo-3-(5-chloro-2-hydroxyphenyl)bicyclo[2.2.1]heptane-endo-2-carboxylate
SpectraBase Compound ID 82ynH0aviaO
InChI InChI=1S/C18H23ClO3/c1-18(2,3)22-17(21)16-11-5-4-10(8-11)15(16)13-9-12(19)6-7-14(13)20/h6-7,9-11,15-16,20H,4-5,8H2,1-3H3/t10-,11+,15+,16+/m0/s1
InChIKey SMPSBOPFGKVMPV-IRHXVLAXSA-N
Mol Weight 322.83 g/mol
Molecular Formula C18H23ClO3
Exact Mass 322.133572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsBaCExuzVC
Name tert-Butyl exo-3-(5-chloro-2-hydroxyphenyl)bicyclo[2.2.1]heptane-endo-2-carboxylate
CAS Registry Number 110614-32-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClO3
InChI InChI=1S/C18H23ClO3/c1-18(2,3)22-17(21)16-11-5-4-10(8-11)15(16)13-9-12(19)6-7-14(13)20/h6-7,9-11,15-16,20H,4-5,8H2,1-3H3/t10-,11+,15+,16+/m0/s1
InChIKey SMPSBOPFGKVMPV-IRHXVLAXSA-N
Molecular Weight 322.832 g/mol
SMILES Oc1c([C@@]2([C@](C(OC(C)(C)C)=O)([C@]3(C[C@@]2(CC3)[H])[H])[H])[H])cc(cc1)Cl
SPLASH splash10-0002-0090000000-3ef1dea2fab16588456c
Source of Spectrum K-121-345-9
Synonyms tert-Butyl 3-(5-chloro-2-hydroxyphenyl)bicyclo[2.2.1]heptane-2-carboxylate
Wiley ID 1321679