| SpectraBase Spectrum ID |
B3nO1WYfLPM |
| Name |
Theaspirane <6-hydroxydihydro-> |
| CAS Registry Number |
53398-90-6 |
| 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 |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3 |
| InChIKey |
LJOISVFAMDWVFA-UHFFFAOYSA-N |
| Molecular Weight |
212.333 g/mol |
| Number of Peaks |
50 |
| RI1 |
1447 |
| RI2 |
1125 |
| RI3 |
1321 |
| RI4 |
1279 |
| SMILES |
OC1(C2(CCC(O2)C)C(CCC1)(C)C)C |
| SPLASH |
splash10-002u-9300000000-a5b9fb5515e58873c0ef |
| 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 |
1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl- |
| Wiley ID |
LM_FFNSC3_943 |
