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[(2S,3R,7R)-2-methyl-3-oxidanyl-7-prop-2-enyl-oxepan-3-yl]methyl benzoate
SpectraBase Compound ID 7lYhF6Z5JTJ
InChI InChI=1S/C18H24O4/c1-3-8-16-11-7-12-18(20,14(2)22-16)13-21-17(19)15-9-5-4-6-10-15/h3-6,9-10,14,16,20H,1,7-8,11-13H2,2H3/t14-,16-,18+/m0/s1
InChIKey NHRLVGBIKPEXPK-QILLFSRXSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bdDOgpRHye
Name [(2S,3R,7R)-2-methyl-3-oxidanyl-7-prop-2-enyl-oxepan-3-yl]methyl benzoate
Alternate Name(s) [(2S,3R,7R)-3-hydroxy-2-methyl-7-prop-2-enyloxepan-3-yl]methyl benzoate [(2S,3R,7R)-7-allyl-3-hydroxy-2-methyl-oxepan-3-yl]methyl benzoate benzoic acid [(2S,3R,7R)-3-hydroxy-2-methyl-7-prop-2-enyl-3-oxepanyl]methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-3-8-16-11-7-12-18(20,14(2)22-16)13-21-17(19)15-9-5-4-6-10-15/h3-6,9-10,14,16,20H,1,7-8,11-13H2,2H3/t14-,16-,18+/m0/s1
InChIKey NHRLVGBIKPEXPK-QILLFSRXSA-N
Molecular Weight 304.386 g/mol
SMILES O[C@@]1([C@@](O[C@@](CC=C)(CCC1)[H])(C)[H])COC(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-1a1519391268ec1c9590
Source of Spectrum F-56-1079-39
Wiley ID 855872