| SpectraBase Spectrum ID |
Kn0CT2WlXTE |
| Name |
Thujopsadiene |
| CAS Registry Number |
51446-91-4 |
| 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 |
202.172150708 u |
| Formula |
C15H22 |
| 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/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,9,12H,1,5,7-8,10H2,2-4H3/t12-,14-,15-/m1/s1 |
| InChIKey |
XOPQCMQCJQEISN-BPLDGKMQSA-N |
| Molecular Weight |
202.341 g/mol |
| Nominal Mass |
202 u |
| Number of Peaks |
145 |
| SMILES |
C1=CC([C@@]2([C@]3([C@@]1(CCCC3(C)C)C)C2)[H])=C |
| SPLASH |
splash10-015c-5900000000-c27e1ef965f6a8018096 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001323 |
