SpectraBase Spectrum ID |
3oTUV0lafUI |
Name |
cis-Rhubafuran |
CAS Registry Number |
99343-90-5 |
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 |
176.120115134 u |
Formula |
C12H16O |
InChI |
InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,12+/m1/s1 |
InChIKey |
GPMLJOOQCIHFET-PWSUYJOCSA-N |
Molecular Weight |
176.259 g/mol |
Number of Peaks |
50 |
RI1 |
1342 |
RI2 |
1020 |
RI3 |
1183 |
RI4 |
1142 |
RI5 |
1323 |
SMILES |
C[C@]1(OC[C@](C1)(c1ccccc1)C)[H] |
SPLASH |
splash10-00lr-5900000000-61e3dd5c02099a79dc2c |
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 |
Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel- |
Wiley ID |
LM_FFNSC3_3162 |