| SpectraBase Spectrum ID |
AqNTNcJdTcE |
| Name |
(-)-(3R,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-4-phenylcyclohex-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.199093730 u |
| Formula |
C20H27NO3 |
| InChI |
InChI=1S/C20H27NO3/c1-23-15-24-14-17-10-7-13-21(17)20(22)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-4,6,8-9,12,17-19H,5,7,10-11,13-15H2,1H3/t17-,18+,19+/m0/s1 |
| InChIKey |
UBYUNTKSJSZDPV-IPMKNSEASA-N |
| Molecular Weight |
329.440 g/mol |
| SMILES |
C(N1[C@](COCOC)(CCC1)[H])([C@]1([C@@](C2=CC=CC=C2)(CCC=C1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931317 |
![(-)-(3R,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-4-phenylcyclohex-1-ene](/api/spectrum/AqNTNcJdTcE/structure.png?h=300&w=458 "(-)-(3R,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-4-phenylcyclohex-1-ene")
