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3-[3-(p-Methoxybenzyloxy)-2-methylpropenyl]-1,5-anti-diisobutylbenzo[e]-1,3]dioxepane
SpectraBase Compound ID DCvHe1mCfbF
InChI InChI=1S/C29H40O4/c1-20(2)15-27-25-9-7-8-10-26(25)28(16-21(3)4)33-29(32-27)17-22(5)18-31-19-23-11-13-24(30-6)14-12-23/h7-14,17,20-21,27-29H,15-16,18-19H2,1-6H3/t27-,28-/m0/s1
InChIKey XNPNAMRCDLSBIN-NSOVKSMOSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Z8dYhVfo9x
Name 3-[3-(p-Methoxybenzyloxy)-2-methylpropenyl]-1,5-anti-diisobutylbenzo[e]-1,3]dioxepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-20(2)15-27-25-9-7-8-10-26(25)28(16-21(3)4)33-29(32-27)17-22(5)18-31-19-23-11-13-24(30-6)14-12-23/h7-14,17,20-21,27-29H,15-16,18-19H2,1-6H3/t27-,28-/m0/s1
InChIKey XNPNAMRCDLSBIN-NSOVKSMOSA-N
Molecular Weight 452.635 g/mol
SMILES [C@@]1(OC(O[C@](c2c1cccc2)(CC(C)C)[H])C=C(COCc1ccc(cc1)OC)C)(CC(C)C)[H]
SPLASH splash10-00si-0290000000-726b2ac497711a7bde56
Source of Spectrum KC-60-426-17
Wiley ID 1583062