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(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-heptadecen-1-ol
SpectraBase Compound ID LDZHbNKLrW5
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21-19-24-22(2,3)25-21/h15-16,20-21,23H,4-14,17-19H2,1-3H3/b16-15+/t20-,21+/m0/s1
InChIKey WYLKELAVJKWUQT-RJCGUJTNSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42O3
Exact Mass 354.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKFynivPEWP
Name (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-heptadecen-1-ol
Alternate Name(s) (E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-4-en-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21-19-24-22(2,3)25-21/h15-16,20-21,23H,4-14,17-19H2,1-3H3/b16-15+/t20-,21+/m0/s1
InChIKey WYLKELAVJKWUQT-RJCGUJTNSA-N
Molecular Weight 354.575 g/mol
SMILES O[C@]([C@@]1(OC(OC1)(C)C)[H])(CC\C=C\CCCCCCCCCCCC)[H]
SPLASH splash10-0ue0-0009000000-24722998604d2a714601
Source of Spectrum KC-0-1185-11
Wiley ID 827862