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4,6,7-Trimethylcyclopentano[d]benzo[b]furan-5-yl benzoate
SpectraBase Compound ID 70Toqj5Py7G
InChI InChI=1S/C21H22O3/c1-12-13(2)20-18(16-10-7-11-17(16)23-20)14(3)19(12)24-21(22)15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-11H2,1-3H3/t16-,17+/m1/s1
InChIKey FBUXSUCHPIQRKO-SJORKVTESA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5UIykBlLsz
Name 4,6,7-Trimethylcyclopentano[d]benzo[b]furan-5-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-12-13(2)20-18(16-10-7-11-17(16)23-20)14(3)19(12)24-21(22)15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-11H2,1-3H3/t16-,17+/m1/s1
InChIKey FBUXSUCHPIQRKO-SJORKVTESA-N
Molecular Weight 322.404 g/mol
SMILES c12c(c(C)c(c(c2C)C)OC(=O)c2ccccc2)[C@@]2(CCC[C@@]2(O1)[H])[H]
SPLASH splash10-0avi-0966000000-268474e7ce8bf808af85
Source of Spectrum SO-0-913-8
Wiley ID 874771