SpectraBase Spectrum ID |
KYEIhSN7lE7 |
Name |
Maleate |
Source of Sample |
SAFC Cat.no. W505005 |
CAS Registry Number |
141-05-9 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
172.073558862 u |
Formula |
C8H12O4 |
InChI |
InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5- |
InChIKey |
IEPRKVQEAMIZSS-WAYWQWQTSA-N |
Molecular Weight |
172.180 g/mol |
Number of Peaks |
50 |
RI1 |
1174 |
RI2 |
852 |
RI3 |
1152 |
RI4 |
1110 |
RI5 |
1144 |
SMILES |
CCOC(\C=C/C(OCC)=O)=O |
SPLASH |
splash10-0002-9300000000-82370217c7c294e7335b |
Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
2-Butenedioic acid (2Z)-, diethyl ester |
Wiley ID |
LM_FFNSC3_55 |