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2H,6H-8a,4a-(Iminomethano)biphenylene-9-carboxaldehyde, 7,7-dimethyl-5-[(methylsulfonyl)oxy]-, (4a.alpha.,4b.alpha.,5.beta., 8a.alpha.,8b.beta.)-
SpectraBase Compound ID 1UMOmcnzXv3
InChI InChI=1S/C17H27NO4S/c1-16(2)7-12-14-11-5-4-6-17(14,9-18(12)10-19)15(11)13(8-16)22-23(3,20)21/h10-15H,4-9H2,1-3H3/t11-,12+,13?,14+,15-,17+/m1/s1
InChIKey PDRCVGWRIFDGDT-UHFFFAOYSA-N
Mol Weight 341.47 g/mol
Molecular Formula C17H27NO4S
Exact Mass 341.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KG6EbwEyXdL
Name 2H,6H-8a,4a-(Iminomethano)biphenylene-9-carboxaldehyde, 7,7-dimethyl-5-[(methylsulfonyl)oxy]-, (4a.alpha.,4b.alpha.,5.beta., 8a.alpha.,8b.beta.)-
CAS Registry Number 108392-88-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO4S
InChI InChI=1S/C17H27NO4S/c1-16(2)7-12-14-11-5-4-6-17(14,9-18(12)10-19)15(11)13(8-16)22-23(3,20)21/h10-15H,4-9H2,1-3H3/t11-,12+,13?,14+,15-,17+/m1/s1
InChIKey PDRCVGWRIFDGDT-UHFFFAOYSA-N
Molecular Weight 341.466 g/mol
SMILES [C@]123[C@@]4([C@](CC(CC([C@]3([C@@]4(CCC2)[H])[H])OS(=O)(=O)C)(C)C)(N(C1)C=O)[H])[H]
SPLASH splash10-0002-0090000000-6ab9d610c2919b00625e
Source of Spectrum J-52-2353-39
Synonyms 2-formyl-12,12-dimethyl-2-azatetracyclo[6.5.1.0(4,9).0(4,14)]tetradec-10-yl methanesulfonate 2-Methylfulforyloxy-4,4-dimethyl-14-aza-14-formyl-tetracyclo[4.6.2(6,12).0.0.(7,12)]tetradecane
Wiley ID 1335829