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[1-(R,S),5(R,S)]-3-(2,2-dimethyl-1-(R,S/S,R)-hydroxypropyl)-6-(R,S)-n-octyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
SpectraBase Compound ID 2IJXeJGZia6
InChI InChI=1S/C18H32O3/c1-5-6-7-8-9-10-11-14-13-12-15(21-17(13)20-14)16(19)18(2,3)4/h12-14,16-17,19H,5-11H2,1-4H3
InChIKey IFMINNKVYORVAD-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8B3aZxtApPl
Name [1-(R,S),5(R,S)]-3-(2,2-dimethyl-1-(R,S/S,R)-hydroxypropyl)-6-(R,S)-n-octyl-2,7-dioxabicyclo[3.2.0]hept-3-ene
Alternate Name(s) 2,2-Dimethyl-1-(6-octyl-2,7-dioxabicyclo[3.2.0]hept-3-en-3-yl)-1-propanol
CAS Registry Number 122999-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-5-6-7-8-9-10-11-14-13-12-15(21-17(13)20-14)16(19)18(2,3)4/h12-14,16-17,19H,5-11H2,1-4H3
InChIKey IFMINNKVYORVAD-UHFFFAOYSA-N
Molecular Weight 296.451 g/mol
SMILES OC(C=1OC2C(C1)C(O2)CCCCCCCC)C(C)(C)C
SPLASH splash10-0002-9000000000-3b67a658a58932b04d8a
Source of Spectrum J-54-4723-5
Wiley ID 1299417