SpectraBase Compound ID | Iz9S5uammi6 |
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InChI | InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18?,19-,20-,21+,22-,23-,25+,26+,27-/m0/s1 |
InChIKey | SJZZRXMQSAXCFD-ZIUJSLSYSA-N |
Mol Weight | 418.7 g/mol |
Molecular Formula | C27H46O3 |
Exact Mass | 418.344695 g/mol |
Enantiomer InChIKey | SJZZRXMQSAXCFD-VLAWGIAHSA-N |
Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
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Source of Spectrum | Biologically and Environmentally Important Organic Compounds: GCMS Library |
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
The NIST/EPA/NIH MS/MS 2020 libraries contain over 1,320,000 spectra for over 185,500 ions. The MS/MS libraries also contain metabolites, peptides (including biologically-relevant peptides), contaminants, lipids, and more. Learn more.
This library features mass spectra for biologically and environmentally important organic compounds in the form of their trimethylsilyl derivatives (TMS), along with their TMS linear temperature programmed chromatographic retention indices. Learn more.
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