SpectraBase Spectrum ID |
K4JqYOAnRch |
Name |
Car-3-en-2-one |
CAS Registry Number |
53585-45-8 |
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 |
150.104465070 u |
Formula |
C10H14O |
InChI |
InChI=1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-8H,5H2,1-3H3/t7?,8-/m0/s1 |
InChIKey |
SAFIHMIEMQFPDA-MQWKRIRWSA-N |
Molecular Weight |
150.221 g/mol |
Number of Peaks |
50 |
RI1 |
1249 |
SMILES |
C1C2C([C@@]2(C(C(C)=C1)=O)[H])(C)C |
SPLASH |
splash10-0pvl-9500000000-244fb8cc49445f54127f |
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[4.1.0]hept-3-en-2-one, 3,7,7-trimethyl-, (1R)- |
Wiley ID |
LM_FFNSC3_2425 |