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(3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid (phenylmethyl) ester
SpectraBase Compound ID C8p55T78yoJ
InChI InChI=1S/C23H25NO4/c25-23(26-14-16-5-2-1-3-6-16)24-12-11-17-7-4-8-19(22(17)24)18-9-10-20-21(13-18)28-15-27-20/h1-3,5-6,9-10,13,17,19,22H,4,7-8,11-12,14-15H2/t17-,19+,22+/m1/s1
InChIKey FMYVBRKIAKNKAT-LZNRXBQRSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdZartq9Eh6
Name (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid (phenylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c25-23(26-14-16-5-2-1-3-6-16)24-12-11-17-7-4-8-19(22(17)24)18-9-10-20-21(13-18)28-15-27-20/h1-3,5-6,9-10,13,17,19,22H,4,7-8,11-12,14-15H2/t17-,19+,22+/m1/s1
InChIKey FMYVBRKIAKNKAT-LZNRXBQRSA-N
Molecular Weight 379.456 g/mol
SMILES C(N1[C@@]2([C@](c3cc4OCOc4cc3)(CCC[C@]2([H])CC1)[H])[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9300000000-3a7f7bbfba32aa87c89d
Source of Spectrum J-57-6788-30
Synonyms (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylic acid benzyl ester (phenylmethyl) (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate benzyl (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
Wiley ID 1359361