| SpectraBase Spectrum ID |
HCZTckgHRlV |
| Name |
6,7-bis(Hydroxymethyl)-4,9A-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.178023932 u |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-12-17-9-16(11-24-14(3)21)15(10-23-13(2)20)5-7-19(17,4)8-6-18(12)22/h9,15H,5-8,10-11H2,1-4H3 |
| InChIKey |
FWFGSVUXLJABTF-UHFFFAOYSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C=12C(CCC(C(=C2)COC(C)=O)COC(C)=O)(CCC(C1C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961693 |
![6,7-bis(Hydroxymethyl)-4,9A-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one, 2ac derivative](/api/spectrum/HCZTckgHRlV/structure.png?h=300&w=458 "6,7-bis(Hydroxymethyl)-4,9A-dimethyl-2,7,8,9-tetrahydro-1H-benzo[7]annulen-3-one, 2ac derivative")
