| SpectraBase Spectrum ID |
BdTX7aVIrN8 |
| Name |
Deoxysinomeninone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-19-6-5-18-10-17(21)16(20)9-14(18)15(19)7-11-3-4-12(22-2)8-13(11)18/h3-4,8,14-15H,5-7,9-10H2,1-2H3/t14-,15+,18+/m1/s1 |
| InChIKey |
LERBXZJLJJEZRV-VKJFTORMSA-N |
| SMILES |
C1(=O)C[C@]2([C@]3(C4=C(C=CC(=C4)OC)C[C@@]2(N(C)CC3)[H])CC1=O)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.98979 |
