| SpectraBase Spectrum ID |
H2yUUphMv8z |
| Name |
(1S,2'S)-1-N-[(2'-Methoxymethyl)pyrrolodin-1'-yl]amino-1-(p-methylphenyl)-2-methoxybuta-2,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.199428083 u |
| Formula |
C18H26N2O2 |
| InChI |
InChI=1S/C18H26N2O2/c1-5-17(22-4)18(15-10-8-14(2)9-11-15)19-20-12-6-7-16(20)13-21-3/h8-11,16,18-19H,1,6-7,12-13H2,2-4H3/t16-,18-/m0/s1 |
| InChIKey |
CBGVVWHMJFLOJG-WMZOPIPTSA-N |
| SMILES |
[C@]1(N(N[C@](C(=C=C)OC)(C2=CC=C(C=C2)C)[H])CCC1)(COC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849754 |
![(1S,2'S)-1-N-[(2'-Methoxymethyl)pyrrolodin-1'-yl]amino-1-(p-methylphenyl)-2-methoxybuta-2,3-diene](/api/spectrum/H2yUUphMv8z/structure.png?h=300&w=458 "(1S,2'S)-1-N-[(2'-Methoxymethyl)pyrrolodin-1'-yl]amino-1-(p-methylphenyl)-2-methoxybuta-2,3-diene")
