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[(S)-2-(Allyloxy)trimethylene] valerate p-toluenesulfonate
SpectraBase Compound ID LvaMb4VsQTh
InChI InChI=1S/C18H26O6S/c1-4-6-7-18(19)23-13-16(22-12-5-2)14-24-25(20,21)17-10-8-15(3)9-11-17/h5,8-11,16H,2,4,6-7,12-14H2,1,3H3/t16-/m0/s1
InChIKey DBMQWNFNMHOSBP-INIZCTEOSA-N
Mol Weight 370.46 g/mol
Molecular Formula C18H26O6S
Exact Mass 370.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmpTrSDycvO
Name [(S)-2-(Allyloxy)trimethylene] valerate p-toluenesulfonate
Alternate Name(s) (2S)-2-(allyloxy)-3-{[(4-methylphenyl)sulfonyl]oxy}propyl pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O6S
InChI InChI=1S/C18H26O6S/c1-4-6-7-18(19)23-13-16(22-12-5-2)14-24-25(20,21)17-10-8-15(3)9-11-17/h5,8-11,16H,2,4,6-7,12-14H2,1,3H3/t16-/m0/s1
InChIKey DBMQWNFNMHOSBP-INIZCTEOSA-N
Molecular Weight 370.460 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@](COC(=O)CCCC)(OCC=C)[H]
SPLASH splash10-000l-9300000000-64c90b59db360cff24ab
Source of Spectrum QC-3-141-3
Wiley ID 883119