SpectraBase Spectrum ID |
1psEPDxxVuZ |
Name |
Indipone |
CAS Registry Number |
169238-61-3 |
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 |
220.182715392 u |
Formula |
C15H24O |
InChI |
InChI=1S/C15H24O/c1-10(2)14(16)15-8-7-12(4)13(15)6-5-11(3)9-15/h9-10,12-13H,5-8H2,1-4H3/t12-,13+,15-/m0/s1 |
InChIKey |
NUTDFMLLZCEHML-GUTXKFCHSA-N |
Molecular Weight |
220.356 g/mol |
Number of Peaks |
50 |
RI1 |
1492 |
SMILES |
[C@]12(CCC(=C[C@]2(CC[C@@]1(C)[H])C(=O)C(C)C)C)[H] |
SPLASH |
splash10-0007-9600000000-68e0cbb57352b1856a35 |
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-Propanone, 1-[(1S,3aR,7aR)-1,2,3,6,7,7a-hexahydro-1,5-dimethyl-3aH-inden-3a-yl]-2-methyl- |
Wiley ID |
LM_FFNSC3_2296 |