| SpectraBase Spectrum ID |
HtzcDINsPcT |
| Name |
Isohibaene |
| CAS Registry Number |
5975-53-1 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| 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/C20H32/c1-17(2)8-5-9-19(4)15(17)7-11-20-13-12-18(3,14-20)10-6-16(19)20/h12-13,15-16H,5-11,14H2,1-4H3/t15-,16+,18+,19-,20-/m0/s1 |
| InChIKey |
GXMKKDDGINQVBE-NXHKRRBXSA-N |
| Molecular Weight |
272.476 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
149 |
| SMILES |
C1CC([C@]2([C@](C1)([C@@]1([C@]3(CC2)C[C@@](CC1)(C)C=C3)[H])C)[H])(C)C |
| SPLASH |
splash10-052f-7930000000-9111cb0ae4ce25875960 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000762 |
