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(4R*,5S*,7E)-5-Phenylthio-7-dodecen-4-ol acetate

View entire compound with spectra: 1 MS (GC)

(4R*,5S*,7E)-5-Phenylthio-7-dodecen-4-ol acetate
SpectraBase Compound ID 6dTxbgkfTCU
InChI InChI=1S/C20H30O2S/c1-4-6-7-8-12-16-20(19(13-5-2)22-17(3)21)23-18-14-10-9-11-15-18/h8-12,14-15,19-20H,4-7,13,16H2,1-3H3/b12-8+/t19-,20+/m1/s1
InChIKey PGIXVSNNSCAEHE-NZONOLPTSA-N
Mol Weight 334.52 g/mol
Molecular Formula C20H30O2S
Exact Mass 334.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Q4dORecgC
Name (4R*,5S*,7E)-5-Phenylthio-7-dodecen-4-ol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2S
InChI InChI=1S/C20H30O2S/c1-4-6-7-8-12-16-20(19(13-5-2)22-17(3)21)23-18-14-10-9-11-15-18/h8-12,14-15,19-20H,4-7,13,16H2,1-3H3/b12-8+/t19-,20+/m1/s1
InChIKey PGIXVSNNSCAEHE-NZONOLPTSA-N
Molecular Weight 334.518 g/mol
SMILES [C@](Sc1ccccc1)([C@](OC(=O)C)(CCC)[H])(C\C=C\CCCC)[H]
SPLASH splash10-0006-9300000000-711da607f35a43c5da2d
Source of Spectrum AJ-69-2103-11
Wiley ID 773846