| SpectraBase Spectrum ID |
ARNjr1xk8 |
| Name |
Manool<3-alpha-acetoxy-> |
| CAS Registry Number |
112239-37-9 |
| 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 |
348.266445016 u |
| Formula |
C22H36O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C22H36O3/c1-8-21(6,24)13-11-17-15(2)9-10-18-20(4,5)19(25-16(3)23)12-14-22(17,18)7/h8,17-19,24H,1-2,9-14H2,3-7H3/t17-,18-,19+,21+,22+/m0/s1 |
| InChIKey |
SRDCSTQQSUOKSR-JIWOIOHBSA-N |
| Molecular Weight |
348.527 g/mol |
| Nominal Mass |
348 u |
| Number of Peaks |
200 |
| SMILES |
O[C@@](CC[C@]1(C(CC[C@@]2([C@@]1(CC[C@@](OC(C)=O)(C2(C)C)[H])C)[H])=C)[H])(C=C)C |
| SPLASH |
splash10-0006-9610000000-5d2c2675cfd354a8fa02 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000882 |
