| SpectraBase Spectrum ID |
5aIH6Qhda7Y |
| Name |
Verbenyl acetate |
| CAS Registry Number |
1203-21-0 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1 |
| InChIKey |
OZBFUQLOVFXDNK-VWYCJHECSA-N |
| Molecular Weight |
194.274 g/mol |
| Number of Peaks |
50 |
| RI1 |
1289 |
| RI2 |
967 |
| SMILES |
C1([C@]2(C(=C[C@@]([C@@]1(C2)[H])(OC(C)=O)[H])C)[H])(C)C |
| SPLASH |
splash10-00kf-9600000000-40f9da1b3c281316b68f |
| 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 |
Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, acetate, (1R,2S,5R)- |
| Wiley ID |
LM_FFNSC3_1498 |
