| SpectraBase Spectrum ID |
2mDOPxMDMeW |
| Name |
Celestolide |
| CAS Registry Number |
13171-00-1 |
| Classification |
Fragrance |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
244.378 g/mol |
| Nominal Mass |
244 u |
| Quality |
975 |
| Retention Index |
1812 |
| SMILES |
C1(C=2C(=C(C=C(C(C)(C)C)C2)C(=O)C)CC1)(C)C |
| SPLASH |
splash10-004l-5790000000-6eb44be6cc6501fa644e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Acetyl-6-tert-butyl-1,1-dimethylindan
1-[1,1-Dimethyl-6-(2-methyl-2-propanyl)-2,3-dihydro-1H-inden-4-yl]ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022577 |
