SpectraBase Spectrum ID |
62tebn32u1p |
Name |
4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-3,4,8,8-tetramethyl-, (3.alpha.,4.beta.,7.beta.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.187800773 u |
Formula |
C15H24 |
InChI |
InChI=1S/C15H24/c1-10-5-6-12-13(10)15(4)8-7-11(9-15)14(12,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,15+/m0/s1 |
InChIKey |
CRDRZPGMLAICJC-ZIBATOQPSA-N |
Molecular Weight |
204.357 g/mol |
SMILES |
C12=C([C@@]3(CC[C@](C2(C)C)(C3)[H])C)[C@@](C)(CC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956966 |