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3aH-Indol-3a-ol, 1-benzoyl-1,2,3,4,5,6-hexahydro-2,2-dimethyl-, benzoate (ester)
SpectraBase Compound ID GyZU8jGcbM4
InChI InChI=1S/C24H25NO3/c1-23(2)17-24(28-22(27)19-13-7-4-8-14-19)16-10-9-15-20(24)25(23)21(26)18-11-5-3-6-12-18/h3-8,11-15H,9-10,16-17H2,1-2H3
InChIKey ICLDVPVVWLJLDP-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C24H25NO3
Exact Mass 375.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Abpy4S0Uljz
Name 3aH-Indol-3a-ol, 1-benzoyl-1,2,3,4,5,6-hexahydro-2,2-dimethyl-, benzoate (ester)
CAS Registry Number 91420-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO3
InChI InChI=1S/C24H25NO3/c1-23(2)17-24(28-22(27)19-13-7-4-8-14-19)16-10-9-15-20(24)25(23)21(26)18-11-5-3-6-12-18/h3-8,11-15H,9-10,16-17H2,1-2H3
InChIKey ICLDVPVVWLJLDP-UHFFFAOYSA-N
Molecular Weight 375.468 g/mol
SMILES C=12N(C(CC2(OC(=O)c2ccccc2)CCCC1)(C)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-3910000000-d933f748e7e6258d9890
Source of Spectrum B-37-583-0
Synonyms 1-Benzoyl-2,2-dimethyl-1,2,3,4,5,6-hexahydro-3aH-indol-3a-yl benzoate 1-Benzoyl-2,2-dimethyl-2,3,3a,4,5,6-hexahydro-11H-indol-3a-yl benzoate
Wiley ID 1357305