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(6S)-6-bromo-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-3-yl benzoate
SpectraBase Compound ID 3dIpnMUYPw5
InChI InChI=1S/C22H27BrO3/c1-21-13-12-17-15(8-10-18(24)22(17,2)23)16(21)9-11-19(21)26-20(25)14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3
InChIKey HKZMXCLHDQFECZ-UHFFFAOYSA-N
Mol Weight 419.36 g/mol
Molecular Formula C22H27BrO3
Exact Mass 418.114358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HdlM1J3dJ7c
Name (6S)-6-bromo-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-3-yl benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H27BrO3/c1-21-13-12-17-15(8-10-18(24)22(17,2)23)16(21)9-11-19(21)26-20(25)14-6-4-3-5-7-14/h3-7,15-17,19H,8-13H2,1-2H3
InChIKey HKZMXCLHDQFECZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15090
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00001346; Labnumber: 987/00001346218815; VK_ID: VK-015095
Synonyms 6-bromo-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-3-yl benzoate
Temperature 308 °C