| SpectraBase Spectrum ID |
7yiHeqatGGc |
| Name |
(3ar*,6R*,7as*)-2,3,3A,6,7,7A-Hexahydro-1,6-(methanoxy)-3A-(3,4-methylenedioxy)phenylindole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.120843408 u |
| Formula |
C16H17NO3 |
| InChI |
InChI=1S/C16H17NO3/c1-2-13-14(20-10-19-13)7-11(1)16-4-3-12-8-15(16)17(6-5-16)9-18-12/h1-4,7,12,15H,5-6,8-10H2/t12-,15-,16-/m1/s1 |
| InChIKey |
OTZAKOURHVPSSZ-DAXOMENPSA-N |
| SMILES |
[C@@]12([C@@]3(N(CO[C@](C=C2)(C3)[H])CC1)[H])C=1C=C2OCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906491 |
