| SpectraBase Spectrum ID |
LtCtGTMSpH2 |
| Name |
(4as,10Bs)-4-propyl-2,3,4A,5,6,10B-hexahydrobenzo[H][1,4]benzoxazin-9-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
JCSREICEMHWFAY-GJZGRUSLSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
[C@]12(C=3C(CC[C@@]2(N(CCO1)CCC)[H])=CC=C(C3)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912471 |
![(4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol](/api/spectrum/LtCtGTMSpH2/structure.png?h=300&w=458 "(4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol")
