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[6-Hydroxymethyl-2-butyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate

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

[6-Hydroxymethyl-2-butyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
SpectraBase Compound ID B9HsEERnbYF
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19(15-8-6-5-7-9-15)20-17(13-26-14(2)24)11-16(12-23)21(20)22(18)25/h5-9,16-21,23H,3-4,10-13H2,1-2H3
InChIKey GIZVKWLRDDNRRP-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ggF73wnK8s
Name [6-Hydroxymethyl-2-butyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-3-4-10-18-19(15-8-6-5-7-9-15)20-17(13-26-14(2)24)11-16(12-23)21(20)22(18)25/h5-9,16-21,23H,3-4,10-13H2,1-2H3
InChIKey GIZVKWLRDDNRRP-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES C(C)(=O)OCC1C2C(C(C(C2C(C1)CO)=O)CCCC)C=1C=CC=CC1