| SpectraBase Spectrum ID |
IT9Y3mmTqV4 |
| Name |
1,4-Methanonaphthalene, 2-bromo-1,2,3,4-tetrahydro-9-(phenylthio)-,(2S,9R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.007784657 u |
| Formula |
C17H15BrS |
| InChI |
InChI=1S/C17H15BrS/c18-15-10-14-12-8-4-5-9-13(12)16(15)17(14)19-11-6-2-1-3-7-11/h1-9,14-17H,10H2/t14-,15?,16-,17-/m1/s1 |
| InChIKey |
JOGMLJXIOFJRCB-FNAUVDMUSA-N |
| Molecular Weight |
331.271 g/mol |
| SMILES |
C1=CC=CC2=C1[C@]1([C@@]([C@@]2(CC1Br)[H])(SC=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874441 |
