SpectraBase Spectrum ID |
IjL3ZoIYSjQ |
Name |
Bacdanol |
CAS Registry Number |
28219-61-6 |
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 |
208.182715392 u |
Formula |
C14H24O |
InChI |
InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7- |
InChIKey |
KHQDWCKZXLWDNM-GHXNOFRVSA-N |
Molecular Weight |
208.345 g/mol |
Number of Peaks |
50 |
RI1 |
1553 |
RI2 |
1230 |
SMILES |
OC\C(=C/CC1CC=C(C1(C)C)C)CC |
SPLASH |
splash10-0a4l-9700000000-94d4e23b3389a82a980c |
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-Buten-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- |
Wiley ID |
LM_FFNSC3_1242 |