| SpectraBase Spectrum ID |
9MOFGRxiHzs |
| Name |
3-Methyl-18-nor-abieta-2,8,11,13-tetraene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.219100902 u |
| Formula |
C20H28 |
| InChI |
InChI=1S/C20H28/c1-13(2)16-6-9-19-17(12-16)7-8-18-15(4)14(3)10-11-20(18,19)5/h6,9-10,12-13,15,18H,7-8,11H2,1-5H3/t15-,18-,20-/m0/s1 |
| InChIKey |
HPZBYPYFDGSPDU-QSFXBCCZSA-N |
| Molecular Weight |
268.444 g/mol |
| SMILES |
[C@@]12([C@]([C@](C)([H])C(=CC2)C)(CCC2=C1C=CC(C(C)C)=C2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85201 |
