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rac-(3aR,5R,7S,7aR)-5-(3-isopropylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID FQKBAbYR7pD
InChI InChI=1S/C21H33NO/c1-14(2)16-9-8-10-17(11-16)21(6)12-15(3)19-18(13-21)20(4,5)23-22(19)7/h8-11,14-15,18-19H,12-13H2,1-7H3/t15-,18+,19+,21+/m0/s1
InChIKey RBTNHWUHWUCKQH-BQBKMSKFSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BANwiBBcS7X
Name rac-(3aR,5R,7S,7aR)-5-(3-isopropylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-14(2)16-9-8-10-17(11-16)21(6)12-15(3)19-18(13-21)20(4,5)23-22(19)7/h8-11,14-15,18-19H,12-13H2,1-7H3/t15-,18+,19+,21+/m0/s1
InChIKey RBTNHWUHWUCKQH-BQBKMSKFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 315.501 g/mol
SMILES c1cc(cc(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)C(C)C
SPLASH splash10-00or-2903000000-626b528020d03ea43f1c
Source of Spectrum CN114761385A
Wiley ID 1884388