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

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

[6-Hydroxymethyl-3-methyl-2-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
SpectraBase Compound ID 4WWXe2HzoLQ
InChI InChI=1S/C19H24O4/c1-11-16-15(10-23-12(2)21)8-14(9-20)18(16)19(22)17(11)13-6-4-3-5-7-13/h3-7,11,14-18,20H,8-10H2,1-2H3
InChIKey VBCBDWZGLLXGLX-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtFLN15xT8E
Name [6-Hydroxymethyl-3-methyl-2-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 316.167459249 u
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-11-16-15(10-23-12(2)21)8-14(9-20)18(16)19(22)17(11)13-6-4-3-5-7-13/h3-7,11,14-18,20H,8-10H2,1-2H3
InChIKey VBCBDWZGLLXGLX-UHFFFAOYSA-N
Molecular Weight 316.397 g/mol
SMILES C(C)(=O)OCC1C2C(C(C(C2C(C1)CO)=O)C=1C=CC=CC1)C