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1,3-Cyclopentanediol, 4-(3-methyl-2-butenyl)-5-(2-phenylethyl)-, diacetate, (1.alpha.,3.beta.,4.beta.,5.alpha.)-
SpectraBase Compound ID 5IchihBMWB5
InChI InChI=1S/C22H30O4/c1-15(2)10-12-19-20(13-11-18-8-6-5-7-9-18)22(26-17(4)24)14-21(19)25-16(3)23/h5-10,19-22H,11-14H2,1-4H3/t19-,20-,21+,22+/m0/s1
InChIKey SMHJIWROHSMCME-FNAHDJPLSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbPJSsXOTN8
Name 1,3-Cyclopentanediol, 4-(3-methyl-2-butenyl)-5-(2-phenylethyl)-, diacetate, (1.alpha.,3.beta.,4.beta.,5.alpha.)-
Alternate Name(s) (1R,2S,3S,4R)-4-(acetyloxy)-2-(3-methyl-2-butenyl)-3-(2-phenylethyl)cyclopentyl acetate 1-r-acetoxy-2-t-(3'-methyl-2'-butenyl)-3-c-(.beta.-phenylethyl)-4-t-acetoxy-cyclopentane
CAS Registry Number 57803-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-15(2)10-12-19-20(13-11-18-8-6-5-7-9-18)22(26-17(4)24)14-21(19)25-16(3)23/h5-10,19-22H,11-14H2,1-4H3/t19-,20-,21+,22+/m0/s1
InChIKey SMHJIWROHSMCME-FNAHDJPLSA-N
Molecular Weight 358.478 g/mol
SMILES [C@]1([C@]([C@](CC=C(C)C)([C@@](C1)(OC(=O)C)[H])[H])(CCc1ccccc1)[H])(OC(=O)C)[H]
SPLASH splash10-000l-5970000000-262338eee5ebd48c6ed5
Source of Spectrum AN-84-824-0
Wiley ID 1347293