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

*Links on SpectraBase are not permalinks.
1,3-Cyclopentanediol, 4-(7-methoxyheptyl)-5-(2-phenylethenyl)-, diacetate, [1.alpha.,3.alpha.,4.alpha.,5.alpha.(E)]-
SpectraBase Compound ID IBya8PcLWQW
InChI InChI=1S/C25H36O5/c1-19(26)29-24-18-25(30-20(2)27)23(16-15-21-12-8-7-9-13-21)22(24)14-10-5-4-6-11-17-28-3/h7-9,12-13,15-16,22-25H,4-6,10-11,14,17-18H2,1-3H3/b16-15+/t22-,23+,24+,25-/m1/s1
InChIKey QZNODAHDMXJZNY-CHPGXHEFSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 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 9gbTGWPtTq5
Name 1,3-Cyclopentanediol, 4-(7-methoxyheptyl)-5-(2-phenylethenyl)-, diacetate, [1.alpha.,3.alpha.,4.alpha.,5.alpha.(E)]-
CAS Registry Number 62788-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-19(26)29-24-18-25(30-20(2)27)23(16-15-21-12-8-7-9-13-21)22(24)14-10-5-4-6-11-17-28-3/h7-9,12-13,15-16,22-25H,4-6,10-11,14,17-18H2,1-3H3/b16-15+/t22-,23+,24+,25-/m1/s1
InChIKey QZNODAHDMXJZNY-CHPGXHEFSA-N
Molecular Weight 416.558 g/mol
SMILES [C@]1([C@@](\C=C\c2ccccc2)([C@@](CCCCCCCOC)([C@](C1)(OC(=O)C)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-0006-9120000000-5d2ce2835da177a9253c
Source of Spectrum F-32-2751-0
Synonyms (1R,2S,3R,4S)-4-(acetyloxy)-3-(7-methoxyheptyl)-2-[(E)-2-phenylethenyl]cyclopentyl acetate (E)cis-1,4-diacetoxy-2-(7-methoxy heptyl)-3-(2-phenylethenyl)cyclopentane
Wiley ID 1376488