| SpectraBase Spectrum ID |
LH8tjJrx6Vc |
| Name |
(-)-(3S,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-3-methyl-4-phenylcyclohex-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.214743795 u |
| Formula |
C21H29NO3 |
| InChI |
InChI=1S/C21H29NO3/c1-21(13-7-6-12-19(21)17-9-4-3-5-10-17)20(23)22-14-8-11-18(22)15-25-16-24-2/h3-5,7,9-10,13,18-19H,6,8,11-12,14-16H2,1-2H3/t18-,19-,21-/m0/s1 |
| InChIKey |
PMUMHRVUQAMXFK-ZJOUEHCJSA-N |
| Molecular Weight |
343.467 g/mol |
| SMILES |
C([C@@]1([C@](C=2C=CC=CC2)(CCC=C1)[H])C)(N1[C@](COCOC)(CCC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980625 |
![(-)-(3S,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-3-methyl-4-phenylcyclohex-1-ene](/api/spectrum/LH8tjJrx6Vc/structure.png?h=300&w=458 "(-)-(3S,4S)-3-[[2(S)-[(methoxymethoxy)methyl]pyrrolidinyl]carbonyl]-3-methyl-4-phenylcyclohex-1-ene")
