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1(3H)-Isobenzofuranone, 7-ethylidene-3a,4,7,7a-tetrahydro-6-(1,3,3-trimethylcyclohexyl)-, [3a.alpha.,6(S*),7Z,7a.alpha.]-(-)-

View entire compound with spectra: 1 MS (GC)

1(3H)-Isobenzofuranone, 7-ethylidene-3a,4,7,7a-tetrahydro-6-(1,3,3-trimethylcyclohexyl)-, [3a.alpha.,6(S*),7Z,7a.alpha.]-(-)-
SpectraBase Compound ID BpUv2777BqO
InChI InChI=1S/C19H28O2/c1-5-14-15(8-7-13-11-21-17(20)16(13)14)19(4)10-6-9-18(2,3)12-19/h5,8,13,16H,6-7,9-12H2,1-4H3/b14-5+/t13-,16+,19?/m1/s1
InChIKey JYGCZJWYAJTITQ-QUDXBULWSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKLbornIUZi
Name 1(3H)-Isobenzofuranone, 7-ethylidene-3a,4,7,7a-tetrahydro-6-(1,3,3-trimethylcyclohexyl)-, [3a.alpha.,6(S*),7Z,7a.alpha.]-(-)-
CAS Registry Number 131606-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-5-14-15(8-7-13-11-21-17(20)16(13)14)19(4)10-6-9-18(2,3)12-19/h5,8,13,16H,6-7,9-12H2,1-4H3/b14-5+/t13-,16+,19?/m1/s1
InChIKey JYGCZJWYAJTITQ-QUDXBULWSA-N
Molecular Weight 288.431 g/mol
SMILES C=1(\C([C@@]2([C@](CC1)(COC2=O)[H])[H])=C/C)C1(CC(C)(C)CCC1)C
SPLASH splash10-05mo-9630000000-de22ae1c6e85f9d7fa04
Source of Spectrum B-43-1725-4
Synonyms (3aS,7Z,7aS)-7-ethylidene-6-(1,3,3-trimethylcyclohexyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one (7Z,1'R(*),3aR(*),7aS(*))-7-ethylidene-6-(1',3',3'-trimethylcyclohexyl)-3a,4,7,7a-tetrahydroisobenzofuran-1-(3H)-one (Aplytandiene-1-)
Wiley ID 1292104