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4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol
SpectraBase Compound ID 6m58Tm7jED3
InChI InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-16(14)8-11)13-5-7-15(19)17(9-13)20-3/h5,7,9,11-12,14,16,18-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,16-,18?/m1/s1
InChIKey NYYPTIGTXRRKOY-UHLRMOPESA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dtel1iQn6gY
Name 4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol
Classification Methoxyphenols
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-16(14)8-11)13-5-7-15(19)17(9-13)20-3/h5,7,9,11-12,14,16,18-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,16-,18?/m1/s1
InChIKey NYYPTIGTXRRKOY-UHLRMOPESA-N
Molecular Weight 306.402 g/mol
Number of Peaks 22
SMILES Oc1c(cc(cc1)C1OC[C@@]([C@]2([C@](O1)(C[C@@](CC2)(C)[H])[H])[H])(C)[H])OC
SPLASH splash10-0udi-5901000000-58d9f4154f3805ae831b
Source of Spectrum FF-29-125-9a (DOI: 10.1002/ffj.3187)
Wiley ID 1775708