| SpectraBase Spectrum ID |
H6TROuAt9UY |
| Name |
Neranic acid |
| CAS Registry Number |
4613-38-1 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7- |
| InChIKey |
ZHYZQXUYZJNEHD-CLFYSBASSA-N |
| Molecular Weight |
168.236 g/mol |
| Number of Peaks |
50 |
| RI1 |
1320 |
| RI5 |
1334 |
| SMILES |
OC(\C=C/(CCC=C(C)C)C)=O |
| SPLASH |
splash10-014l-9100000000-5120d1332d35a5fce0a4 |
| 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 |
2,6-Octadienoic acid, 3,7-dimethyl-, (2Z)- |
| Wiley ID |
LM_FFNSC3_2085 |
