| SpectraBase Spectrum ID |
KL3XevDxHR1 |
| Name |
Ocean carboxaldehyde |
| Source of Sample |
Firmenich |
| CAS Registry Number |
86803-90-9 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-14-12-5-8-4-11(12)10-3-7(6-13)2-9(8)10/h6-12H,2-5H2,1H3 |
| InChIKey |
UOGMZEGKCNHMBF-UHFFFAOYSA-N |
| Molecular Weight |
194.274 g/mol |
| Number of Peaks |
50 |
| RI1 |
1516 |
| RI2 |
1192 |
| SMILES |
C1C(C2C3C(C1C2)CC(C3)C=O)OC |
| SPLASH |
splash10-0563-9800000000-3dde85fbce1c6e1d8f5c |
| 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 |
4,7-Methano-1H-indene-2-carboxaldehyde, octahydro-5-methoxy- |
| Wiley ID |
LM_FFNSC3_1335 |
