| SpectraBase Spectrum ID |
Jf99ZH0uM2a |
| Name |
Methyl nidoresedate |
| CAS Registry Number |
90686-31-0 |
| 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 |
328.203844759 u |
| Formula |
C21H28O3 |
| 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/C21H28O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h5-7,10,13-15,18H,8-9,11-12H2,1-4H3/t15-,18-,20+,21+/m0/s1 |
| InChIKey |
HOKLGVKZDXBQKC-GDVKCFTOSA-N |
| Molecular Weight |
328.452 g/mol |
| Nominal Mass |
328 u |
| Number of Peaks |
113 |
| SMILES |
COC(C=1[C@]2(CC[C@@]([C@@](CCc3ccoc3)([C@@]2(C=CC1)[H])C)(C)[H])C)=O |
| SPLASH |
splash10-001l-9500000000-e170b8c59aa30f6c4cd9 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000951 |
