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rel-(5R,7R/S)-Trispiro[4.1.1.4.2.2]heptadecan-1-one
SpectraBase Compound ID II69IUGhVU4
InChI InChI=1S/C17H26O/c18-14-4-3-7-17(14)11-10-16(13-17)9-8-15(12-16)5-1-2-6-15/h1-13H2/t16?,17-/m1/s1
InChIKey OPNXZFDWRZMNNS-ZYMOGRSISA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSCVRHQdqX
Name rel-(5R,7R/S)-Trispiro[4.1.1.4.2.2]heptadecan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H26O
InChI InChI=1S/C17H26O/c18-14-4-3-7-17(14)11-10-16(13-17)9-8-15(12-16)5-1-2-6-15/h1-13H2/t16?,17-/m1/s1
InChIKey OPNXZFDWRZMNNS-ZYMOGRSISA-N
Molecular Weight 246.394 g/mol
SMILES [C@@]12(C(=O)CCC2)CC2(CC3(CCCC3)CC2)CC1
SPLASH splash10-0udi-0920000000-324eb4e80e325876dd71
Source of Spectrum F-65-1694-31
Wiley ID 1712646