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

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(5S,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate
SpectraBase Compound ID 7mOFMYMCcgX
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-DQWVTDRNSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34OS
Exact Mass 298.233037 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 69ssCznphOP
Name (5S,7S,9S,E)-S-Ethyl 5,7,9-trimethyltridec-3-enethioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.233036888 u
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-DQWVTDRNSA-N
SMILES C(=O)(SCC)C\C=C\[C@](C[C@](C[C@](CCCC)(C)[H])(C)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950435