| SpectraBase Spectrum ID |
CljGOJCjW5z |
| Name |
Esperone |
| CAS Registry Number |
13171-00-1 |
| 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 |
244.182715392 u |
| Formula |
C17H24O |
| InChI |
InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey |
IKTHMQYJOWTSJO-UHFFFAOYSA-N |
| Molecular Weight |
244.378 g/mol |
| Number of Peaks |
50 |
| RI1 |
1710 |
| RI2 |
1386 |
| RI3 |
1560 |
| RI4 |
1522 |
| SMILES |
c1(cc(c2c(c1)C(CC2)(C)C)C(C)=O)C(C)(C)C |
| SPLASH |
splash10-002f-9780000000-5926d06638ff83fbd242 |
| 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 |
Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]- |
| Wiley ID |
LM_FFNSC3_1281 |
