| SpectraBase Compound ID | KXcv6eFcbsM |
|---|---|
| InChI | InChI=1S/C40H58O/c1-30(19-13-20-32(3)25-26-36-33(4)23-15-27-39(36,7)8)17-11-12-18-31(2)21-14-22-35(6)38(41)29-37-34(5)24-16-28-40(37,9)10/h11-14,17-22,25-26,38,41H,15-16,23-24,27-29H2,1-10H3/b12-11+,19-13+,21-14+,26-25+,30-17+,31-18+,32-20+,35-22+ |
| InChIKey | PWNPVIXSSXYASN-DLTDWEGESA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C40H58O |
| Exact Mass | 554.448766 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4kSno3l4Uv5 |
|---|---|
| Name | 7,8-Dihydro-.beta.,.beta.-caroten-8-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 554.448766487 u |
| Formula | C40H58O |
| InChI | InChI=1S/C40H58O/c1-30(19-13-20-32(3)25-26-36-33(4)23-15-27-39(36,7)8)17-11-12-18-31(2)21-14-22-35(6)38(41)29-37-34(5)24-16-28-40(37,9)10/h11-14,17-22,25-26,38,41H,15-16,23-24,27-29H2,1-10H3/b12-11+,19-13+,21-14+,26-25+,30-17+,31-18+,32-20+,35-22+ |
| InChIKey | PWNPVIXSSXYASN-DLTDWEGESA-N |
| Molecular Weight | 554.903 g/mol |
| SMILES | C1(CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)O)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948418 |