| SpectraBase Spectrum ID |
9gu8ZNSHfpN |
| Name |
Eremophil-8(9),7(11)-dien-6-alpha:15,8-alpha,12-diolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c1-7-11-10(18-13(7)16)6-8-4-3-5-9-14(17)19-12(11)15(8,9)2/h6,8-9,12H,3-5H2,1-2H3/t8-,9-,12+,15+/m1/s1 |
| InChIKey |
IRTIRMZUPSWGOJ-VGKCBKCPSA-N |
| Molecular Weight |
260.289 g/mol |
| SMILES |
C1(=O)[C@]2(CCC[C@]3([C@]2(C)[C@@](O1)(C1=C(C(=O)OC1=C3)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804537 |
