(1R*,3R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-acetate - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	77ou9HCSeSS
InChI	InChI=1S/C15H22O4/c1-10(16)5-6-13-14(3)7-12(19-11(2)17)8-15(13,4)18-9-14/h5-6,12-13H,7-9H2,1-4H3/b6-5+/t12-,13+,14+,15+/m1/s1
InChIKey	JLOGTRPPPYSRBU-VAOTXTKJSA-N Google Search
Mol Weight	266.34 g/mol
Molecular Formula	C15H22O4
Exact Mass	266.151809 g/mol

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SpectraBase Spectrum ID	4TiUOdzJCCd
Name	(1R,3R,5S,8S)-1,5-Dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-acetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	266.151809184 u
Formula	C15H22O4
InChI	InChI=1S/C15H22O4/c1-10(16)5-6-13-14(3)7-12(19-11(2)17)8-15(13,4)18-9-14/h5-6,12-13H,7-9H2,1-4H3/b6-5+/t12-,13+,14+,15+/m1/s1
InChIKey	JLOGTRPPPYSRBU-VAOTXTKJSA-N
Molecular Weight	266.337 g/mol
SMILES	C1[C@](C[C@@]2(OC[C@@]1(C)[C@@]2(\C=C\C(C)=O)[H])C)(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.970181