| SpectraBase Spectrum ID |
4az9MFA5Op3 |
| Name |
4,7-Methano-1H-isoindole, 2,3,3A,4,7,7A-hexahydro-, (3A.alpha.,4.alpha.,7.alpha.,7A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
135.104799423 u |
| Formula |
C9H13N |
| InChI |
InChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+ |
| InChIKey |
CJMPQJDYEONFGO-SPJNRGJMSA-N |
| Molecular Weight |
135.210 g/mol |
| SMILES |
[C@]12([C@]3([C@@](CNC3)([H])[C@](C1)([H])C=C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965455 |
