SpectraBase Spectrum ID |
F1YXRrB1shn |
Name |
Acsantol isomer I |
CAS Registry Number |
41890-92-0 |
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 |
188.177630011 u |
Formula |
C11H24O2 |
InChI |
InChI=1S/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3 |
InChIKey |
ZJVRYPHKSDHLTC-UHFFFAOYSA-N |
Molecular Weight |
188.311 g/mol |
Number of Peaks |
50 |
RI1 |
1333 |
RI2 |
1010 |
RI3 |
1377 |
RI4 |
1335 |
RI5 |
1317 |
SMILES |
OC(C(CCCC(OC)(C)C)C)C |
SPLASH |
splash10-00di-9000000000-9b2b28d6879460d70d29 |
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-Octanol, 7-methoxy-3,7-dimethyl- |
Wiley ID |
LM_FFNSC3_3304 |