| SpectraBase Spectrum ID |
1B1VKckRJ5j |
| Name |
(+-)-cis-3,4,6,9-tetrahydro-8,10-dihydroxy-7-methoxy-1,3-dimethyl-1H-naphtho[2,3-C]pyran-6,9-dione[(+-)-ventiloquinone I] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.094688229 u |
| Formula |
C16H16O6 |
| InChI |
InChI=1S/C16H16O6/c1-6-4-8-5-9-11(13(18)10(8)7(2)22-6)14(19)15(20)16(21-3)12(9)17/h5-7,18,20H,4H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey |
VWHXRHUUNCIKQF-RQJHMYQMSA-N |
| Molecular Weight |
304.298 g/mol |
| SMILES |
C1=2C(C(O)=C(C(C2C=C2C(=C1O)[C@@](O[C@](C)(C2)[H])(C)[H])=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837219 |
![(+-)-cis-3,4,6,9-tetrahydro-8,10-dihydroxy-7-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-ventiloquinone I]](/api/spectrum/1B1VKckRJ5j/structure.png?h=300&w=458 "(+-)-cis-3,4,6,9-tetrahydro-8,10-dihydroxy-7-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-ventiloquinone I]")
