| SpectraBase Spectrum ID |
cq4bkkbnC9 |
| Name |
(6as)-4-Homoveratryl-6,6A-dihydrofuro[3,2-B]pyrrole-2,5-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.110672646 u |
| Formula |
C16H17NO5 |
| InChI |
InChI=1S/C16H17NO5/c1-20-12-4-3-10(7-14(12)21-2)5-6-17-11-8-16(19)22-13(11)9-15(17)18/h3-4,7-8,13H,5-6,9H2,1-2H3/t13-/m0/s1 |
| InChIKey |
KZXGSSOVQDZECO-ZDUSSCGKSA-N |
| SMILES |
C=12N(C(=O)C[C@@]2(OC(C1)=O)[H])CCC=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971769 |
![(6aS)-4-homoveratryl-6,6a-dihydrofuro[3,2-b]pyrrole-2,5-quinone](/api/spectrum/cq4bkkbnC9/structure.png?h=300&w=458 "(6aS)-4-homoveratryl-6,6a-dihydrofuro[3,2-b]pyrrole-2,5-quinone")
