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3-{[1S-(1-ALPHA,4A-BETA,5-BETA,6-ALPHA,8A-ALPHA)]-2-CHLORMETHYL-DECAHYDRO-5-METHOXYCARBONYL-5,8A-DIMETHYL-1-NAPHTHALENE}-PROPIONIC-ACID

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3-{[1S-(1-ALPHA,4A-BETA,5-BETA,6-ALPHA,8A-ALPHA)]-2-CHLORMETHYL-DECAHYDRO-5-METHOXYCARBONYL-5,8A-DIMETHYL-1-NAPHTHALENE}-PROPIONIC-ACID
SpectraBase Compound ID CU56cWs7eVE
InChI InChI=1S/C18H29ClO4/c1-17-9-4-10-18(2,16(22)23-3)14(17)7-5-12(11-19)13(17)6-8-15(20)21/h12-14H,4-11H2,1-3H3,(H,20,21)/t12-,13-,14+,17+,18+/m0/s1
InChIKey BSNXEQLVQVVZSI-OXQIDUKASA-N
Mol Weight 344.88 g/mol
Molecular Formula C18H29ClO4
Exact Mass 344.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXeYa1bbFTt
Name 3-{[1S-(1-ALPHA,4A-BETA,5-BETA,6-ALPHA,8A-ALPHA)]-2-CHLORMETHYL-DECAHYDRO-5-METHOXYCARBONYL-5,8A-DIMETHYL-1-NAPHTHALENE}-PROPIONIC-ACID
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29ClO4
InChI InChI=1S/C18H29ClO4/c1-17-9-4-10-18(2,16(22)23-3)14(17)7-5-12(11-19)13(17)6-8-15(20)21/h12-14H,4-11H2,1-3H3,(H,20,21)/t12-,13-,14+,17+,18+/m0/s1
InChIKey BSNXEQLVQVVZSI-OXQIDUKASA-N
Literature Reference Author E.HASLINGER,A.HUEFNER
Literature Reference Citation MH.CHEM.,126,1109(1995)
Literature Reference DOI 10.1007/BF00811381
Molecular Weight 344.879 g/mol
Solvent CDCl3
Source File Reference UWGN17