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(3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-1-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole

View entire compound with spectra: 1 MS (GC)

(3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-1-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole
SpectraBase Compound ID 5eX6nqdkMNd
InChI InChI=1S/C15H19NO3/c17-16-7-6-10-2-1-3-12(15(10)16)11-4-5-13-14(8-11)19-9-18-13/h4-5,8,10,12,15,17H,1-3,6-7,9H2/t10-,12+,15+/m1/s1
InChIKey UPVFCMJWYFSJRL-GMXABZIVSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SoUpU3CK0v
Name (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-1-hydroxy-2,3,3a,4,5,6,7,7a-octahydroindole
Alternate Name(s) (3aR,7S,7aS)-7-(1,3-benzodioxol-5-yl)-1-oxidanyl-2,3,3a,4,5,6,7,7a-octahydroindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c17-16-7-6-10-2-1-3-12(15(10)16)11-4-5-13-14(8-11)19-9-18-13/h4-5,8,10,12,15,17H,1-3,6-7,9H2/t10-,12+,15+/m1/s1
InChIKey UPVFCMJWYFSJRL-GMXABZIVSA-N
Molecular Weight 261.321 g/mol
SMILES ON1[C@@]2([C@](c3cc4OCOc4cc3)(CCC[C@]2([H])CC1)[H])[H]
SPLASH splash10-00lr-9100000000-fdda58372d7285654077
Source of Spectrum J-57-6788-0
Wiley ID 1264855