SpectraBase Spectrum ID |
LrVCgzf5rPH |
Name |
(R)-(+)-6-chloro-2-methyl-2,3-dihydro-4H-1-benzopyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
182.049842673 u |
Formula |
C10H11ClO |
InChI |
InChI=1S/C10H11ClO/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7H,2-3H2,1H3/t7-/m1/s1 |
InChIKey |
HZVPLWUXRVODPM-SSDOTTSWSA-N |
Molecular Weight |
182.650 g/mol |
SMILES |
C=12O[C@@](CCC2=CC(=CC1)Cl)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956613 |