| SpectraBase Spectrum ID |
HieZeSpILCO |
| Name |
(3Ars,6asr,9ars,9brs)-9A-[(3E)-3',5'-hexadienoxy]-2,3,3A,6,6A,7,8,9,9A,9B-decahydro-1-oxa-1H-phenalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-2-3-4-5-13-19-18-12-7-10-15-8-6-9-16(17(15)18)11-14-20-18/h2-4,6,9,15-17H,1,5,7-8,10-14H2/b4-3+/t15-,16?,17-,18+/m1/s1 |
| InChIKey |
XJMGWURWMPVDRT-OGQDPCSESA-N |
| SMILES |
[C@]12([C@]3(C(C=CC[C@]3([H])CCC1)CCO2)[H])OCC\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954373 |
![(3Ars,6asr,9ars,9brs)-9A-[(3E)-3',5'-hexadienoxy]-2,3,3A,6,6A,7,8,9,9A,9B-decahydro-1-oxa-1H-phenalene](/api/spectrum/HieZeSpILCO/structure.png?h=300&w=458 "(3Ars,6asr,9ars,9brs)-9A-[(3E)-3',5'-hexadienoxy]-2,3,3A,6,6A,7,8,9,9A,9B-decahydro-1-oxa-1H-phenalene")
