For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzenemethanol, 2-methoxy-.alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID IcsYudhcBod
InChI InChI=1S/C18H20O3S/c1-14-9-11-15(12-10-14)22(20)13-5-7-17(19)16-6-3-4-8-18(16)21-2/h3-6,8-13,17,19H,7H2,1-2H3/b13-5+
InChIKey XLEDWMCGVSTUJB-WLRTZDKTSA-N
Mol Weight 316.42 g/mol
Molecular Formula C18H20O3S
Exact Mass 316.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D8u43xsn56w
Name Benzenemethanol, 2-methoxy-.alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [R*,S*-(E)]-
CAS Registry Number 87448-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3S
InChI InChI=1S/C18H20O3S/c1-14-9-11-15(12-10-14)22(20)13-5-7-17(19)16-6-3-4-8-18(16)21-2/h3-6,8-13,17,19H,7H2,1-2H3/b13-5+
InChIKey XLEDWMCGVSTUJB-WLRTZDKTSA-N
Molecular Weight 316.415 g/mol
SMILES OC(c1c(OC)cccc1)C\C=C\S(c1ccc(cc1)C)=O
SPLASH splash10-03ei-4900000000-2f11e46d2e1f6200b2eb
Source of Spectrum B-36-1053-0
Synonyms (3E)-1-(2-methoxyphenyl)-4-[(4-methylphenyl)sulfinyl]-3-buten-1-ol (E)-1-(o-methoxyphenyl)-4-(p-methylbenzenesulfinyl)but-3-en-1-ol
Wiley ID 1316759