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

*Links on SpectraBase are not permalinks.
Apiole
SpectraBase Compound ID Eue1vj0DLS9
InChI InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChIKey QQRSPHJOOXUALR-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 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 AwY7wu9BAV8
Name Apiole
CAS Registry Number 523-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChIKey QQRSPHJOOXUALR-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES COc1c2c(c(cc1CC=C)OC)OCO2
SPLASH splash10-00di-6970000000-fdd263daaf45c29e9110
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885853