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Methyl 4-[(Z)-5-(benzyloxy)-2-(phenylthio)-1-pentenyl]benzoate
SpectraBase Compound ID 6n89tQNY9Pn
InChI InChI=1S/C26H26O3S/c1-28-26(27)23-16-14-21(15-17-23)19-25(30-24-11-6-3-7-12-24)13-8-18-29-20-22-9-4-2-5-10-22/h2-7,9-12,14-17,19H,8,13,18,20H2,1H3/b25-19-
InChIKey BJPKSMYWDSRXHZ-PLRJNAJWSA-N
Mol Weight 418.55 g/mol
Molecular Formula C26H26O3S
Exact Mass 418.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IU6DDNs3qTI
Name Methyl 4-[(Z)-5-(benzyloxy)-2-(phenylthio)-1-pentenyl]benzoate
Alternate Name(s) Methyl 4-[(1Z)-5-(benzyloxy)-2-(phenylsulfanyl)-1-pentenyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O3S
InChI InChI=1S/C26H26O3S/c1-28-26(27)23-16-14-21(15-17-23)19-25(30-24-11-6-3-7-12-24)13-8-18-29-20-22-9-4-2-5-10-22/h2-7,9-12,14-17,19H,8,13,18,20H2,1H3/b25-19-
InChIKey BJPKSMYWDSRXHZ-PLRJNAJWSA-N
Molecular Weight 418.551 g/mol
SMILES C(c1ccc(\C=C\(Sc2ccccc2)CCCOCc2ccccc2)cc1)(=O)OC
SPLASH splash10-0016-9451100000-a134074a68d90798f094
Source of Spectrum C-115-7225-0
Wiley ID 1377355