| SpectraBase Spectrum ID |
AJLKQuCi2ru |
| Name |
(2R,3R)-2,3-bis(2-Isothiocyanatophenyl)oxirane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.023455297 u |
| Formula |
C16H10N2OS2 |
| InChI |
InChI=1S/C16H10N2OS2/c20-9-17-13-7-3-1-5-11(13)15-16(19-15)12-6-2-4-8-14(12)18-10-21/h1-8,15-16H/t15-,16-/m1/s1 |
| InChIKey |
CHMGGNWSHDKGOM-HZPDHXFCSA-N |
| Molecular Weight |
310.389 g/mol |
| SMILES |
[C@@]1([C@@](C=2C(N=C=S)=CC=CC2)(O1)[H])(C1=C(N=C=S)C=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929091 |
