| SpectraBase Spectrum ID |
HogVotsPw0l |
| Name |
2-{[N-(3""""'-aminopropyl)-2''-pyrrolidinyl]-1'-oxoethyl}-1-methyl-6-hydroxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.183778019 u |
| Formula |
C16H24N2O2 |
| InChI |
InChI=1S/C16H24N2O2/c1-12-5-2-7-14(19)16(12)15(20)11-13-6-3-9-18(13)10-4-8-17/h2,5,7,13,19H,3-4,6,8-11,17H2,1H3 |
| InChIKey |
WSIOTDWNVOBPHM-UHFFFAOYSA-N |
| Molecular Weight |
276.380 g/mol |
| SMILES |
C(C1=C(O)C=CC=C1C)(CC1N(CCCN)CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875855 |
![2-{[N-(3"'-Aminopropyl)-2''-pyrrolidinyl]-1'-oxoethyl}-1-methyl-6-hydroxybenzene](/api/spectrum/HogVotsPw0l/structure.png?h=300&w=458 "2-{[N-(3\"'-Aminopropyl)-2''-pyrrolidinyl]-1'-oxoethyl}-1-methyl-6-hydroxybenzene")
