SpectraBase Spectrum ID |
KfPPicnQFaj |
Name |
2-Iodo-1-[(1S)-1-methoxyethyl]-3-(methoxymethoxy)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.006589340 u |
Formula |
C11H15IO3 |
InChI |
InChI=1S/C11H15IO3/c1-8(14-3)9-5-4-6-10(11(9)12)15-7-13-2/h4-6,8H,7H2,1-3H3/t8-/m0/s1 |
InChIKey |
CSIRWVNOJDKNAR-QMMMGPOBSA-N |
Molecular Weight |
322.142 g/mol |
SMILES |
C=1(C(=C(OCOC)C=CC1)I)[C@@](OC)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822285 |