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(+-)-trans-.beta.-[2-(Phenylseleno)ethyl]octahydro-4,4,7a-trimethylbenzo[b]furan- acetic acid
SpectraBase Compound ID CxEQxH3I3aB
InChI InChI=1S/C21H30O3Se/c1-20(2)10-7-11-21(3)18(20)14-16(24-21)15-19(22)23-12-13-25-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3/t16?,18-,21-/m1/s1
InChIKey CSNOFGQZTKYLCX-QHNQYTFYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C21H30O3Se
Exact Mass 410.136017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlaVtZUjeq
Name (+-)-trans-.beta.-[2-(Phenylseleno)ethyl]octahydro-4,4,7a-trimethylbenzo[b]furan- acetic acid
CAS Registry Number 76215-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3Se
InChI InChI=1S/C21H30O3Se/c1-20(2)10-7-11-21(3)18(20)14-16(24-21)15-19(22)23-12-13-25-17-8-5-4-6-9-17/h4-6,8-9,16,18H,7,10-15H2,1-3H3/t16?,18-,21-/m1/s1
InChIKey CSNOFGQZTKYLCX-QHNQYTFYSA-N
Molecular Weight 409.440 g/mol
SMILES [C@@]12(OC(CC(=O)OCC[Se]c3ccccc3)C[C@@]1(C(C)(C)CCC2)[H])C
SPLASH splash10-066s-9800000000-52df8644b1f7141da949
Source of Spectrum J-46-1203-0
Synonyms 2-(Phenylselanyl)ethyl[(3aR,7aR)-4,4,7a-trimethyloctahydro-1-benzofuran-2-yl]acetate
Wiley ID 1373572