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(2S,3S,1'S)-1,4-Di(methoxy)-2-[.alpha.-cyclopentylbenzoyly]butan-3-ol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,3S,1'S)-1,4-Di(methoxy)-2-[.alpha.-cyclopentylbenzoyly]butan-3-ol
SpectraBase Compound ID DhE2IcksSDD
InChI InChI=1S/C18H28O4/c1-20-12-16(19)17(13-21-2)22-18(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15-19H,6-7,10-13H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey KZLDPHNGBXOVKS-OKZBNKHCSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rr9clR3Xvm
Name (2S,3S,1'S)-1,4-di(Methoxy)-2-[.alpha.-cyclopentylbenzoyly]butan-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.198759378 u
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-20-12-16(19)17(13-21-2)22-18(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15-19H,6-7,10-13H2,1-2H3/t16-,17-,18+/m0/s1
InChIKey KZLDPHNGBXOVKS-OKZBNKHCSA-N
SMILES [C@](O[C@]([C@@](O)(COC)[H])(COC)[H])(C1=CC=CC=C1)(C1CCCC1)[H]