| SpectraBase Spectrum ID |
3db2opk51xa |
| Name |
Trans-6-chloro-3,4-dihydro-2,2-dimethyl-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.133906650 u |
| Formula |
C16H22ClNO2 |
| InChI |
InChI=1S/C16H22ClNO2/c1-16(2)15(19)14(18-8-4-3-5-9-18)12-10-11(17)6-7-13(12)20-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1 |
| InChIKey |
MZBDWRNLELCFLL-LSDHHAIUSA-N |
| SMILES |
C=12[C@@]([C@@](O)(C(OC2=CC=C(C1)Cl)(C)C)[H])(N1CCCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961439 |
