For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Oxaspiro[2.5]octan-4-one, 5,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [3.alpha.,5.beta.(Z)]-
SpectraBase Compound ID HxzYYcMDftd
InChI InChI=1S/C14H20O3/c1-10(15)5-6-13(4)11(16)14(9-17-14)8-7-12(13,2)3/h5-6H,7-9H2,1-4H3/b6-5-/t13-,14+/m1/s1
InChIKey QZPGDWIOTPDRKE-QJTIAFMVSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2UGP2ei7KGS
Name 1-Oxaspiro[2.5]octan-4-one, 5,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [3.alpha.,5.beta.(Z)]-
CAS Registry Number 91200-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-10(15)5-6-13(4)11(16)14(9-17-14)8-7-12(13,2)3/h5-6H,7-9H2,1-4H3/b6-5-/t13-,14+/m1/s1
InChIKey QZPGDWIOTPDRKE-QJTIAFMVSA-N
Molecular Weight 236.311 g/mol
SMILES [C@@]12(C([C@](\C=C/C(=O)C)(C)C(CC2)(C)C)=O)OC1
SPLASH splash10-0005-9500000000-55cfa7616d7ac60a8043
Source of Spectrum H-67-828-0
Synonyms (3S,5S)-5,6,6-trimethyl-5-[(1Z)-3-oxo-1-butenyl]-1-oxaspiro[2.5]octan-4-one (Z)-4-(5',5'-epoxymethano-1',2',2'-trimethyl-6'-oxo-1'-cyclohexyl)-3-buten-2-one
Wiley ID 1238345