| SpectraBase Spectrum ID |
CdvhVV1YM0Z |
| Name |
(2'E,4E,6'E)-2',4,6'-Tribenzal-8-phenyl-spiro[1,2,3,5,6,8-hexahydronaphthalene-7,1'-cyclohexane] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.313001288 u |
| Formula |
C42H40 |
| InChI |
InChI=1S/C42H40/c1-5-15-32(16-6-1)29-36-23-13-26-40-39(36)27-28-42(41(40)35-21-11-4-12-22-35)37(30-33-17-7-2-8-18-33)24-14-25-38(42)31-34-19-9-3-10-20-34/h1-12,15-22,29-31,41H,13-14,23-28H2/b36-29+,37-30+,38-31+ |
| InChIKey |
RQVFKCFSZJVPNW-HKJRISBVSA-N |
| Molecular Weight |
544.782 g/mol |
| SMILES |
C12(C(C=3CCC\C(C3CC2)=C/C2=CC=CC=C2)C=2C=CC=CC2)\C(=C\C=2C=CC=CC2)CCC\C1=C\C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88642 |
![(2'E,4E,6'E)-2',4,6'-tribenzal-8-phenyl-spiro[1,2,3,5,6,8-hexahydronaphthalene-7,1'-cyclohexane]](/api/spectrum/CdvhVV1YM0Z/structure.png?h=300&w=458 "(2'E,4E,6'E)-2',4,6'-tribenzal-8-phenyl-spiro[1,2,3,5,6,8-hexahydronaphthalene-7,1'-cyclohexane]")
