| SpectraBase Spectrum ID |
1KCuwTTYkWA |
| Name |
Neothujol |
| CAS Registry Number |
21653-18-9 |
| 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 |
154.135765199 u |
| Formula |
C10H18O |
| InChI |
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m1/s1 |
| InChIKey |
DZVXRFMREAADPP-KYXWUPHJSA-N |
| Molecular Weight |
154.253 g/mol |
| Number of Peaks |
49 |
| RI1 |
1153 |
| RI2 |
830 |
| SMILES |
O[C@]1([C@@]([C@@]2([C@@](C1)(C(C)C)C2)[H])(C)[H])[H] |
| SPLASH |
splash10-0006-9100000000-1ccbf6d6a07842a2ff7e |
| 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[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3R,4R,5R)- |
| Wiley ID |
LM_FFNSC3_1754 |
