| SpectraBase Spectrum ID |
DHk2QQ90ghB |
| Name |
3,4-Epoxy-11-alpha,13-dihydroelemen-12,8-olide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-5-14(3)7-11-10(9(2)13(16)18-11)6-12(14)15(4)8-17-15/h5,9-12H,1,6-8H2,2-4H3/t9-,10+,11+,12+,14+,15?/m0/s1 |
| InChIKey |
PGAGLALAWDEWBB-UGBVPOQASA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C1(OC1)([C@]1([C@](C=C)(C[C@@]2([C@](C1)([C@@](C(=O)O2)(C)[H])[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821999 |
