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[1S,3aS,4S,7aS]-(+)-1-tert-Butoxy-4-ethyl-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
SpectraBase Compound ID HeJQuhci6Vj
InChI InChI=1S/C16H28O2/c1-6-11-12-7-8-14(18-15(2,3)4)16(12,5)10-9-13(11)17/h11-12,14H,6-10H2,1-5H3/t11-,12-,14-,16-/m0/s1
InChIKey LMPXEJGBDWJFCO-DUPGQFARSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCMoLbnkXjh
Name [1S,3aS,4S,7aS]-(+)-1-tert-Butoxy-4-ethyl-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-6-11-12-7-8-14(18-15(2,3)4)16(12,5)10-9-13(11)17/h11-12,14H,6-10H2,1-5H3/t11-,12-,14-,16-/m0/s1
InChIKey LMPXEJGBDWJFCO-DUPGQFARSA-N
Molecular Weight 252.398 g/mol
SMILES [C@@]12([C@]([C@](CC)(C(CC2)=O)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-0a4l-9210000000-e619711e158e243fa460
Source of Spectrum F-47-7590-10
Synonyms (1S,3aS,4S,7aS)-1-tert-butoxy-4-ethyl-7a-methyloctahydro-5H-inden-5-one
Wiley ID 1256181