| SpectraBase Spectrum ID |
41Sapgam0yy |
| Name |
(4br,4cr,8br)-8-Phenyl-4C,5,6,7,8B,9-hexahydro-4bh-benzo[3,4]cyclobuta[1,2-A]indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.156500644 u |
| Formula |
C21H20 |
| InChI |
InChI=1S/C21H20/c1-2-7-14(8-3-1)16-11-6-12-18-20(16)19-13-15-9-4-5-10-17(15)21(18)19/h1-5,7-10,18-19,21H,6,11-13H2/t18-,19-,21+/m0/s1 |
| InChIKey |
BAMDJOQUPLLIKN-IRFCIJBXSA-N |
| Molecular Weight |
272.391 g/mol |
| SMILES |
C=12[C@@]3(CC=4C=CC=CC4[C@@]3([C@]2(CCCC1C1=CC=CC=C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959142 |
![(4br,4cr,8br)-8-Phenyl-4C,5,6,7,8B,9-hexahydro-4bh-benzo[3,4]cyclobuta[1,2-A]indene](/api/spectrum/41Sapgam0yy/structure.png?h=300&w=458 "(4br,4cr,8br)-8-Phenyl-4C,5,6,7,8B,9-hexahydro-4bh-benzo[3,4]cyclobuta[1,2-A]indene")
