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S-Benzyl (2S)-2,4-dimethylhex-4-enethioate

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

S-Benzyl (2S)-2,4-dimethylhex-4-enethioate
SpectraBase Compound ID 9IZwN9X9jqV
InChI InChI=1S/C15H20OS/c1-4-12(2)10-13(3)15(16)17-11-14-8-6-5-7-9-14/h4-9,13H,10-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKey NFNBJVDKEGBXKV-VEIWZVCTSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8qP4BLlAI5
Name S-Benzyl (2S)-2,4-dimethylhex-4-enethioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.123486437 u
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-4-12(2)10-13(3)15(16)17-11-14-8-6-5-7-9-14/h4-9,13H,10-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKey NFNBJVDKEGBXKV-VEIWZVCTSA-N
Molecular Weight 248.384 g/mol
SMILES C(SCC=1C=CC=CC1)([C@](C\C(=C/C)C)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939434