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(4aR,8aR)-4a,5,8,8a-Tetrahydro-1,1,6-trimethyl-1H-2-benzopyran-3(4H)-one
SpectraBase Compound ID CfWRYVhg6KN
InChI InChI=1S/C12H18O2/c1-8-4-5-10-9(6-8)7-11(13)14-12(10,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKey NBUBMEJCZGGMHY-NXEZZACHSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D51es1Zpope
Name 3H-2-Benzopyran-3-one, 1,4,4a,5,8,8a-hexahydro-1,1,6-trimethyl-, (4aR-cis)-
CAS Registry Number 107602-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-4-5-10-9(6-8)7-11(13)14-12(10,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKey NBUBMEJCZGGMHY-NXEZZACHSA-N
Molecular Weight 194.274 g/mol
SMILES C1(OC(=O)C[C@@]2([C@]1(CC=C(C)C2)[H])[H])(C)C
SPLASH splash10-0036-9700000000-5157c96fca0d84b09418
Source of Spectrum H-69-2035-16
Synonyms (4aR,8aR)-1,1,6-trimethyl-1,4,4a,5,8,8a-hexahydro-3H-2-benzopyran-3-one (4aR,8aR)-4a,5,8,8a-tetrahydro-1,1,6-trimethyl-1H-2-benzopyran-3(4H)-one (4aR,8aR)-1,1,6-trimethyl-4a,5,8,8a-tetrahydro-4H-2-benzopyran-3-one
Wiley ID 1191124