SpectraBase Spectrum ID |
JvCCHrSITRq |
Name |
6,6-Dimethyl-7-bicyclo[3.2.0]hept-3-enone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
136.088815005 u |
Formula |
C9H12O |
InChI |
InChI=1S/C9H12O/c1-9(2)7-5-3-4-6(7)8(9)10/h3,5-7H,4H2,1-2H3/t6-,7+/m0/s1 |
InChIKey |
DNBSDUYSUKECPN-NKWVEPMBSA-N |
Molecular Weight |
136.194 g/mol |
SMILES |
C1(C([C@]2(CC=C[C@@]12[H])[H])=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831618 |