| SpectraBase Spectrum ID |
2CLAjR3z2cu |
| Name |
Abieta-8(14),13(15)-diene |
| CAS Registry Number |
57119-12-7 |
| 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(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1 |
| InChIKey |
MRRHSEMHYVQUFK-CMKODMSKSA-N |
| Molecular Weight |
272.476 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
146 |
| SMILES |
C1(CCC[C@]2([C@]1(CCC=1[C@@]2(CCC(C1)=C(C)C)[H])[H])C)(C)C |
| SPLASH |
splash10-000i-5900000000-25d94e7fc80d1c6e5537 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000002 |
