SpectraBase Spectrum ID |
6T9O4a74cLB |
Name |
Clarycet, syn- |
CAS Registry Number |
131766-73-9 |
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 |
200.141244501 u |
Formula |
C11H20O3 |
InChI |
InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3 |
InChIKey |
GURYYNWDVKXZAT-UHFFFAOYSA-N |
Molecular Weight |
200.278 g/mol |
Number of Peaks |
50 |
RI1 |
1324 |
RI2 |
1001 |
RI3 |
1094 |
RI4 |
1053 |
RI5 |
1306 |
SMILES |
C(C)(=O)OC1(CC(OCC1)CCC)C |
SPLASH |
splash10-0005-9000000000-a4a8d5a9d7486d09692f |
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 |
2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate |
Wiley ID |
LM_FFNSC3_3209 |