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3-tert-Butoxy-2,9,9-trimethyl-2-(2-hydroxyethyl)-8,10-dioxabicyclo[5.4.0]undecane isomer
SpectraBase Compound ID Eow57vtXTsq
InChI InChI=1S/C18H34O4/c1-16(2,3)22-15-9-7-8-14-13(18(15,6)10-11-19)12-20-17(4,5)21-14/h13-15,19H,7-12H2,1-6H3/t13?,14?,15-,18-/m0/s1
InChIKey QVYBZLPYOOMEOF-GULCKSEBSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uao5c0Uzqw
Name 3-tert-Butoxy-2,9,9-trimethyl-2-(2-hydroxyethyl)-8,10-dioxabicyclo[5.4.0]undecane isomer
Alternate Name(s) 3-tert-Butoxy-2,9,9-trimethyl-2-(2-hydroxyethyl)-8,10-dioxabicyclo[5.4.0]undecane 2-((5S,6S)-6-tert-Butoxy-2,2,5-trimethyl-octahydro-cyclohepta[1,3]dioxin-5-yl)-ethanol 2-(6-tert-butoxy-2,2,5-trimethyloctahydrocyclohepta[d][1,3]dioxin-5-yl)ethanol trans-2-[(6S)-tert-Butoxy-2,2,5-trimethyloctahydrocyclohepta[1,3]dioxin-(5S)-yl]ethanol
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Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-16(2,3)22-15-9-7-8-14-13(18(15,6)10-11-19)12-20-17(4,5)21-14/h13-15,19H,7-12H2,1-6H3/t13?,14?,15-,18-/m0/s1
InChIKey QVYBZLPYOOMEOF-GULCKSEBSA-N
Molecular Weight 314.466 g/mol
SMILES OCC[C@]1(C2C(OC(OC2)(C)C)CCC[C@@]1(OC(C)(C)C)[H])C
SPLASH splash10-0a4i-9030000000-ef8e41b006e6b580a9f3
Source of Spectrum F-54-5957-12
Wiley ID 807062