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

*Links on SpectraBase are not permalinks.
(1S,2R,3R)-2-Heptyl-3-[2'-(p-methoxyphenyl)-2'-oxoethyl]cyclopropane-1-carboxylic acid
SpectraBase Compound ID FOpWdqzqlmD
InChI InChI=1S/C20H28O4/c1-3-4-5-6-7-8-16-17(19(16)20(22)23)13-18(21)14-9-11-15(24-2)12-10-14/h9-12,16-17,19H,3-8,13H2,1-2H3,(H,22,23)/t16-,17+,19+/m1/s1
InChIKey ZMNACRCRDFDLDQ-AOIWGVFYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 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 46zNhMPfiAA
Name (1S,2R,3R)-2-Heptyl-3-[2'-(p-methoxyphenyl)-2'-oxoethyl]cyclopropane-1-carboxylic acid
Alternate Name(s) (1S,2R,3S)-2-Heptyl-3-[2'-(p-methoxyphenyl)-2'-oxoethyl]cyclopropane-1-carboxylic acid (1S,2R,3S)-2-heptyl-3-(2-(4-methoxyphenyl)-2-oxoethyl)cyclopropanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-4-5-6-7-8-16-17(19(16)20(22)23)13-18(21)14-9-11-15(24-2)12-10-14/h9-12,16-17,19H,3-8,13H2,1-2H3,(H,22,23)/t16-,17+,19+/m1/s1
InChIKey ZMNACRCRDFDLDQ-AOIWGVFYSA-N
Molecular Weight 332.440 g/mol
SMILES OC([C@@]1([C@]([C@]1(CCCCCCC)[H])(CC(c1ccc(cc1)OC)=O)[H])[H])=O
SPLASH splash10-00ku-5945000000-0a196281ad28cfd4d50c
Source of Spectrum F5-4-328-16
Wiley ID 1732667