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(1R,2R,5S)-1-((R)-(4-chlorophenyl)(phenethoxy)methyl)-2-methyl-2-(p-tolyl)-3-oxabicyclo[3.1.0]hexane

View entire compound with spectra: 1 MS (GC)

(1R,2R,5S)-1-((R)-(4-chlorophenyl)(phenethoxy)methyl)-2-methyl-2-(p-tolyl)-3-oxabicyclo[3.1.0]hexane
SpectraBase Compound ID LHv4FEHb9mS
InChI InChI=1S/C28H29ClO2/c1-20-8-12-23(13-9-20)27(2)28(18-24(28)19-31-27)26(22-10-14-25(29)15-11-22)30-17-16-21-6-4-3-5-7-21/h3-15,24,26H,16-19H2,1-2H3/t24-,26-,27-,28-/m1/s1
InChIKey VHICKHPFHCRBIP-YULOIDQLSA-N
Mol Weight 432.99 g/mol
Molecular Formula C28H29ClO2
Exact Mass 432.185608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaUoBIBjlfZ
Name (1R,2R,5S)-1-((R)-(4-chlorophenyl)(phenethoxy)methyl)-2-methyl-2-(p-tolyl)-3-oxabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29ClO2
InChI InChI=1S/C28H29ClO2/c1-20-8-12-23(13-9-20)27(2)28(18-24(28)19-31-27)26(22-10-14-25(29)15-11-22)30-17-16-21-6-4-3-5-7-21/h3-15,24,26H,16-19H2,1-2H3/t24-,26-,27-,28-/m1/s1
InChIKey VHICKHPFHCRBIP-YULOIDQLSA-N
Literature Reference DOI 10.1021/ol702341a
Molecular Weight 432.991 g/mol
SMILES [C@@]1(C)([C@]2([C@](C2)(CO1)[H])[C@@](c1ccc(cc1)Cl)(OCCc1ccccc1)[H])c1ccc(cc1)C
SPLASH splash10-066r-0900300000-3cd4e2d72afb2f757e50
Source of Spectrum A1-9-4917/SMS11-3d
Wiley ID 1758856