| SpectraBase Spectrum ID |
MJQZC0oOXR |
| Name |
Heptacyclo[25.3.1.1^2^,^6.1^7^,^1^1.1^1^2^,^1^6.1^1^7^,^2^1.1^2^2^,^2^6]hexatriacontaoctadecaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.187800773 u |
| Formula |
C36H24 |
| InChI |
InChI=1S/C36H24/c1-7-25-19-26(8-1)28-10-3-12-30(21-28)32-14-5-16-34(23-32)36-18-6-17-35(24-36)33-15-4-13-31(22-33)29-11-2-9-27(25)20-29/h1-24H |
| InChIKey |
NAJKKCZWHSNJEX-UHFFFAOYSA-N |
| Molecular Weight |
456.588 g/mol |
| SMILES |
C12=CC(=CC=C2)C=2C=CC=C(C2)C=2C=CC=C(C2)C=2C=CC=C(C2)C=2C=CC=C(C2)C2=CC1=CC=C2 |
| Spectrum/Structure Validation Score (Raman) |
0.938153 |
![Heptacyclo[25.3.1.1^2^,^6.1^7^,^1^1.1^1^2^,^1^6.1^1^7^,^2^1.1^2^2^,^2^6]hexatriacontaoctadecaene](/api/spectrum/MJQZC0oOXR/structure.png?h=300&w=458 "Heptacyclo[25.3.1.1^2^,^6.1^7^,^1^1.1^1^2^,^1^6.1^1^7^,^2^1.1^2^2^,^2^6]hexatriacontaoctadecaene")
