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2H-1-Benzopyran-2-one, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-, [4aR-(4a.alpha.,6.alpha.,8a.alpha.)]-
SpectraBase Compound ID KW5c0rV6OB0
InChI InChI=1S/C14H22O4/c1-9(15)17-11-7-8-14(4)10(13(11,2)3)5-6-12(16)18-14/h10-11H,5-8H2,1-4H3/t10-,11-,14+/m1/s1
InChIKey QQBPYPXTSDVNKY-GYSYKLTISA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11yjXj5WM0j
Name 2H-1-Benzopyran-2-one, 6-(acetyloxy)octahydro-5,5,8a-trimethyl-, [4aR-(4a.alpha.,6.alpha.,8a.alpha.)]-
CAS Registry Number 79400-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-9(15)17-11-7-8-14(4)10(13(11,2)3)5-6-12(16)18-14/h10-11H,5-8H2,1-4H3/t10-,11-,14+/m1/s1
InChIKey QQBPYPXTSDVNKY-GYSYKLTISA-N
Molecular Weight 254.326 g/mol
SMILES [C@@]12([C@@](C(C)(C)[C@@](CC2)(OC(=O)C)[H])(CCC(O1)=O)[H])C
SPLASH splash10-052f-9200000000-e3b0b2d303521168c666
Source of Spectrum H-64-949-0
Synonyms (+)-(1S,6R,8R)-1,7,7-Trimethyl-3-oxo-2-oxabicyclo[4.4.0]dec-8-yl acetate (4aR,6R,8aS)-5,5,8a-trimethyl-2-oxooctahydro-2H-chromen-6-yl acetate
Wiley ID 1257672