| SpectraBase Spectrum ID |
9qLHAyDEbKA |
| Name |
(+)-12,13-dihydro-14-methoxy-14-deacetoxyspirodysin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-11-5-6-13-12(9-11)10-16(15(13,2)3)7-8-18-14(16)17-4/h9,12-14H,5-8,10H2,1-4H3/t12-,13-,14?,16?/m1/s1 |
| InChIKey |
HFFKWZFCUVOVOT-NOZYUVCASA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C12(C([C@@]3(CCC(=C[C@@]3(C2)[H])C)[H])(C)C)C(OCC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954564 |
