| SpectraBase Spectrum ID |
KaNxpIgDpGE |
| Name |
Isophyllocladene |
| CAS Registry Number |
511-85-3 |
| 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 |
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/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17-,19+,20-/m1/s1 |
| InChIKey |
DQUHDYWUEKWRLN-FPPGBKCQSA-N |
| Molecular Weight |
272.476 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
164 |
| SMILES |
[C@@]12([H])C(CCC[C@@]2([C@@]2([H])CC[C@]3(C(C)=C[C@]2(CC1)C3)[H])C)(C)C |
| SPLASH |
splash10-05fu-5920000000-5cfe525fce04a425b5ac |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000770 |
