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(5R,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate

View entire compound with spectra: 1 MS (GC)

(5R,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate
SpectraBase Compound ID JLaE89TljEN
InChI InChI=1S/C18H34OS/c1-6-8-10-15(3)13-17(5)14-16(4)11-9-12-18(19)20-7-2/h9,11,15-17H,6-8,10,12-14H2,1-5H3/b11-9+/t15-,16-,17-/m0/s1
InChIKey NZRKNAUVTWLZIJ-GYWWZDETSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34OS
Exact Mass 298.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jtyaIcP4Mt
Name (5R,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34OS
InChI InChI=1S/C18H34OS/c1-6-8-10-15(3)13-17(5)14-16(4)11-9-12-18(19)20-7-2/h9,11,15-17H,6-8,10,12-14H2,1-5H3/b11-9+/t15-,16-,17-/m0/s1
InChIKey NZRKNAUVTWLZIJ-GYWWZDETSA-N
Molecular Weight 298.529 g/mol
SMILES C(=O)(SCC)C\C=C\[C@@](C[C@](C[C@](CCCC)(C)[H])(C)[H])(C)[H]
SPLASH splash10-0aor-9100000000-c364521b1b77df34b1ce
Source of Spectrum QC-21-1582-21
Wiley ID 1688436